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Chemistry

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Also known as: Amino acids, essential, Amino acids, essential-, E500000000
Molecular Formula
C52H94N10O17S
Molecular Weight
1163.4  g/mol
InChI Key
CSARAUHTYFKILW-HGFMUWJKSA-N

Amino Acids Mixture
Amino acids that are not synthesized by the human body in amounts sufficient to carry out physiological functions. They are obtained from dietary foodstuffs.
1 2D Structure

Amino Acids Mixture

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S,3R)-2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-(1H-indol-3-yl)propanoic acid;(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2S)-2-amino-3-phenylpropanoic acid;(2S)-2,6-diaminohexanoic acid
2.1.2 InChI
InChI=1S/C11H12N2O2.C9H11NO2.C6H14N2O2.2C6H13NO2.C5H11NO2S.C5H11NO2.C4H9NO3/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;10-8(9(11)12)6-7-4-2-1-3-5-7;7-4-2-1-3-5(8)6(9)10;1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-9-3-2-4(6)5(7)8;1-3(2)4(6)5(7)8;1-2(6)3(5)4(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);1-5,8H,6,10H2,(H,11,12);5H,1-4,7-8H2,(H,9,10);2*4-5H,3,7H2,1-2H3,(H,8,9);4H,2-3,6H2,1H3,(H,7,8);3-4H,6H2,1-2H3,(H,7,8);2-3,6H,5H2,1H3,(H,7,8)/t9-;8-;2*5-;4-,5-;2*4-;2-,3+/m00000001/s1
2.1.3 InChI Key
CSARAUHTYFKILW-HGFMUWJKSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=O)O)N.CC(C)CC(C(=O)O)N.CC(C)C(C(=O)O)N.CC(C(C(=O)O)N)O.CSCCC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C(CCN)CC(C(=O)O)N
2.1.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)O)N.C[C@H]([C@@H](C(=O)O)N)O.CC(C)C[C@@H](C(=O)O)N.CC(C)[C@@H](C(=O)O)N.CSCC[C@@H](C(=O)O)N.C1=CC=C(C=C1)C[C@@H](C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N.C(CCN)C[C@@H](C(=O)O)N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Acid, Essential Amino

2. Acids, Essential Amino

3. Amino Acid, Essential

4. Amino Acids, Essential

5. Essential Amino Acid

2.2.2 Depositor-Supplied Synonyms

1. Amino Acids, Essential

2. Amino Acids, Essential-

3. E500000000

2.3 Create Date
2012-03-21
3 Chemical and Physical Properties
Molecular Weight 1163.4 g/mol
Molecular Formula C52H94N10O17S
Hydrogen Bond Donor Count19
Hydrogen Bond Acceptor Count27
Rotatable Bond Count25
Exact Mass1162.65191274 g/mol
Monoisotopic Mass1162.65191274 g/mol
Topological Polar Surface Area594 Ų
Heavy Atom Count80
Formal Charge0
Complexity988
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count8

USDMF

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01

Ajinomoto Co Inc

Japan

USDMF

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Pharma, Lab & Chemical Expo
Not Confirmed

01

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : Complete

Rev. Date : 2018-08-14

Pay. Date : 2018-07-02

DMF Number : 1076

Submission : 1967-08-15

Status : Active

Type : II

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02

Pharma, Lab & Chemical Expo
Not Confirmed

02

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : Complete

Rev. Date : 2013-02-05

Pay. Date : 2013-01-25

DMF Number : 3149

Submission : 1978-03-15

Status : Active

Type : II

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03

Pharma, Lab & Chemical Expo
Not Confirmed

03

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 3131

Submission : 1978-02-27

Status : Active

Type : II

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04

Pharma, Lab & Chemical Expo
Not Confirmed

04

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 3407

Submission : 1979-01-09

Status : Inactive

Type : II

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05

Pharma, Lab & Chemical Expo
Not Confirmed

05

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 2631

Submission : 1976-03-18

Status : Inactive

Type : II

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06

Pharma, Lab & Chemical Expo
Not Confirmed

06

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 3223

Submission : 1978-06-16

Status : Inactive

Type : II

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07

Tanabe Seiyaku Co Ltd

Japan

USDMF

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Pharma, Lab & Chemical Expo
Not Confirmed

07

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 4202

Submission : 1981-05-29

Status : Inactive

Type : II

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08

Tanabe Seiyaku Co Ltd

Japan

USDMF

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Pharma, Lab & Chemical Expo
Not Confirmed

08

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 4194

Submission : 1981-05-29

Status : Inactive

Type : II

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09

Tanabe Seiyaku Co Ltd

Japan

USDMF

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Pharma, Lab & Chemical Expo
Not Confirmed

09

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 1990

Submission : 1972-09-01

Status : Inactive

Type : II

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10

Tanabe Seiyaku Co Ltd

Japan

USDMF

arrow
Pharma, Lab & Chemical Expo
Not Confirmed

10

Pharma, Lab & Chemical Expo
Not Confirmed

GDUFA

DMF Review : N/A

Rev. Date :

Pay. Date :

DMF Number : 4259

Submission : 1981-07-24

Status : Inactive

Type : II

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DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100...DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100ML;6.8GM/100ML;68MG/100ML;124MG/100ML;170MG/100ML;105MG/100ML;3.5GM/100ML (1440ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100...DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100ML;6.8GM/100ML;68MG/100ML;124MG/100ML;170MG/100ML;105MG/100ML;3.5GM/100ML (1920ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100...DOSAGE - EMULSION;INTRAVENOUS - 2.4%;20MG/100ML;6.8GM/100ML;68MG/100ML;124MG/100ML;170MG/100ML ;105MG/100ML;3.5GM/100ML (2400ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100...DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100ML;9.8GM/100ML;96MG/100ML;174MG/100ML;239MG/100ML ;147MG/100ML;3.9GM/100ML (1026ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100...DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100ML;9.8GM/100ML;96MG/100ML;174MG/100ML;239MG/100ML;147MG/100ML;3.9GM/100ML (1540ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100...DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100ML;9.8GM/100ML;96MG/100ML;174MG/100ML;239MG/100ML;147MG/100ML;3.9GM/100ML (2053ML)

USFDA APPLICATION NUMBER - 200656

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DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100...DOSAGE - EMULSION;INTRAVENOUS - 3.3%;29MG/100ML;9.8GM/100ML;96MG/100ML;174MG/100ML;239MG/100ML;147MG/100ML;3.9GM/100ML (2566ML)

USFDA APPLICATION NUMBER - 200656

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