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Chemistry

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Also known as: 308062-69-3, Ganlaoqin, Livact, Nutramin vl1, Bacc, Branched-chain amino acids

Molecular Formula

C₁₇H₃₇N₃O₆

Molecular Weight

379.5 g/mol

InChI Key

OCUSNPIJIZCRSZ-ZTZWCFDHSA-N

Amino acids which have a branched carbon chain.

1 2D Structure

Amino Acids, Branched-Chain

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-2-amino-3-methylbutanoic acid;(2S)-2-amino-4-methylpentanoic acid;(2S,3S)-2-amino-3-methylpentanoic acid

2.1.2 InChI

InChI=1S/2C6H13NO2.C5H11NO2/c1-4(2)3-5(7)6(8)9;1-3-4(2)5(7)6(8)9;1-3(2)4(6)5(7)8/h2*4-5H,3,7H2,1-2H3,(H,8,9);3-4H,6H2,1-2H3,(H,7,8)/t5-;4-,5-;4-/m000/s1

2.1.3 InChI Key

OCUSNPIJIZCRSZ-ZTZWCFDHSA-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

2.1.5 Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)O)N.CC(C)C[C@@H](C(=O)O)N.CC(C)[C@@H](C(=O)O)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Acid, Branched-chain Amino

2. Acids, Branched-chain Amino

3. Amino Acid, Branched-chain

4. Amino Acids, Branched Chain

5. Amino Acids, Branched-chain

6. Branched Chain Amino Acid

7. Branched-chain Amino Acid

8. Branched-chain Amino Acids

2.2.2 Depositor-Supplied Synonyms

1. 308062-69-3

2. Ganlaoqin

3. Livact

4. Nutramin Vl1

5. Bacc

6. Branched-chain Amino Acids

7. Leucine, Isoleucine And Valine

8. Isoleucine Mixture With Leucine And Valine

9. Amino Acids, Branched-chain

10. Unii-66pzq62ya6

11. Schembl138874

12. 66pzq62ya6

13. 77431-55-1

14. L-isoleucine Compound With L-leucine And L-valine (1:1:1)

15. (2s)-2-amino-3-methylbutanoic Acid;(2s)-2-amino-4-methylpentanoic Acid;(2s,3s)-2-amino-3-methylpentanoic Acid

2.3 Create Date

2006-10-25

3 Chemical and Physical Properties

Molecular Formula	C₁₇H₃₇N₃O₆
Molecular Weight	379.5 g/mol
Hydrogen Bond Donor Count	6
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	379.26823591 g/mol
Monoisotopic Mass	379.26823591 g/mol
Topological Polar Surface Area	190 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	295
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	3