CAS 1378391-43-5 manufacturers and suppliers on PharmaCompass

PharmaCompass

Chemistry

Click the arrow to open the dropdown
read-moreClick the button for full data set
Also known as: 1378391-43-5, L-proline, n-(methoxycarbonyl)-l-valyl-5-methyl-, 3-[2-[[[(2s,4s)-1-[(1,1-dimethylethoxy)carbonyl]-4-(methoxymethyl)-2-pyrrolidinyl]carbonyl]oxy]acetyl]-8,9,10,11-tetrahydro-8-oxo-5h-benzo[d]naphtho[2,3-b]pyran-9-yl ester, (5s)-, Schembl15355427, Ac-29304, Ds-018136, 1-tert-butyl 2-(2-(9-(((2s,5s)-1-((methoxycarbonyl)-l-valyl)-5-methylpyrrolidine-2-carbonyl)oxy)-8-oxo-8,9,10,11-tetrahydro-5h-dibenzo[c,g]chromen-3-yl)-2-oxoethyl) (2s,4s)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate
Molecular Formula
C44H55N3O13
Molecular Weight
833.9  g/mol
InChI Key
VIUSEVDFPVOBFC-LDPDKXDZSA-N

CAS 1378391-43-5
1 2D Structure

CAS 1378391-43-5

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
1-O-tert-butyl 2-O-[2-[9-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidine-2-carbonyl]oxy-8-oxo-5,9,10,11-tetrahydronaphtho[2,3-c]isochromen-3-yl]-2-oxoethyl] (2S,4S)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate
2.1.2 InChI
InChI=1S/C44H55N3O13/c1-23(2)37(45-42(53)56-8)39(50)47-24(3)9-13-32(47)41(52)59-35-14-11-26-17-31-29-12-10-27(16-28(29)21-57-36(31)18-30(26)38(35)49)34(48)22-58-40(51)33-15-25(20-55-7)19-46(33)43(54)60-44(4,5)6/h10,12,16-18,23-25,32-33,35,37H,9,11,13-15,19-22H2,1-8H3,(H,45,53)/t24-,25-,32-,33-,35?,37-/m0/s1
2.1.3 InChI Key
VIUSEVDFPVOBFC-LDPDKXDZSA-N
2.1.4 Canonical SMILES
CC1CCC(N1C(=O)C(C(C)C)NC(=O)OC)C(=O)OC2CCC3=CC4=C(C=C3C2=O)OCC5=C4C=CC(=C5)C(=O)COC(=O)C6CC(CN6C(=O)OC(C)(C)C)COC
2.1.5 Isomeric SMILES
C[C@H]1CC[C@H](N1C(=O)[C@H](C(C)C)NC(=O)OC)C(=O)OC2CCC3=CC4=C(C=C3C2=O)OCC5=C4C=CC(=C5)C(=O)COC(=O)[C@@H]6C[C@@H](CN6C(=O)OC(C)(C)C)COC
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 1378391-43-5

2. L-proline, N-(methoxycarbonyl)-l-valyl-5-methyl-, 3-[2-[[[(2s,4s)-1-[(1,1-dimethylethoxy)carbonyl]-4-(methoxymethyl)-2-pyrrolidinyl]carbonyl]oxy]acetyl]-8,9,10,11-tetrahydro-8-oxo-5h-benzo[d]naphtho[2,3-b]pyran-9-yl Ester, (5s)-

3. Schembl15355427

4. Ac-29304

5. Ds-018136

6. 1-tert-butyl 2-(2-(9-(((2s,5s)-1-((methoxycarbonyl)-l-valyl)-5-methylpyrrolidine-2-carbonyl)oxy)-8-oxo-8,9,10,11-tetrahydro-5h-dibenzo[c,g]chromen-3-yl)-2-oxoethyl) (2s,4s)-4-(methoxymethyl)pyrrolidine-1,2-dicarboxylate

2.3 Create Date
2015-02-02
3 Chemical and Physical Properties
Molecular Weight 833.9 g/mol
Molecular Formula C44H55N3O13
XLogP35.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count13
Rotatable Bond Count16
Exact Mass833.37348882 g/mol
Monoisotopic Mass833.37348882 g/mol
Topological Polar Surface Area193 Ų
Heavy Atom Count60
Formal Charge0
Complexity1630
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

BUILDING BLOCK

Upload your portfolio for free, ask us

END USE APIs

read-more
read-more
Ask Us for Pharmaceutical Supplier and Partner
Ask Us, Find A Supplier / Partner
No Commissions, No Strings Attached, Get Connected for FREE

What are you looking for?

How can we help you?

The request can't be empty

Please read our Privacy Policy carefully

You must agree to the privacy policy

The name can't be empty
The company can't be empty.
The email can't be empty Please enter a valid email.
The mobile can't be empty