CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2R,3R)-3-HYDROXY-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C40H50N8O7
Molecular Weight	754.8744
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2R,3R)-3-HYDROXY-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER

Structure Search

SMILES

COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(N5)[C@@H]6[C@H](O)CCN6C(=O)[C@@H](NC(=O)OC)C(C)C

InChI

InChIKey=JRIUNNGHDUHTNQ-VLGXOXMCSA-N

InChI=1S/C40H50N8O7/c1-22(2)32(45-39(52)54-5)37(50)47-18-7-8-30(47)35-41-20-28(43-35)26-13-9-24(10-14-26)25-11-15-27(16-12-25)29-21-42-36(44-29)34-31(49)17-19-48(34)38(51)33(23(3)4)46-40(53)55-6/h9-16,20-23,30-34,49H,7-8,17-19H2,1-6H3,(H,41,43)(H,42,44)(H,45,52)(H,46,53)/t30-,31+,32-,33-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C40H50N8O7
Molecular Weight	754.8744
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:11:11 UTC 2023` Edited by `admin` on `Sat Dec 16 15:11:11 UTC 2023`
Record UNII	P7BC3Z5VM7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2R,3R)-3-HYDROXY-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-YL)-1H-IMIDAZOL-2-YL)-1-PYRROLIDINYL)CARBONYL)-2-METHYLPROPYL)-, METHYL ESTER

Systematic Name

English

DACLATASVIR METABOLITE 7

Common Name

English

Code System Code Type Description

PUBCHEM

57610921

Created by admin on Sat Dec 16 15:11:11 UTC 2023 , Edited by admin on Sat Dec 16 15:11:11 UTC 2023

PRIMARY

FDA UNII

P7BC3Z5VM7

Created by admin on Sat Dec 16 15:11:11 UTC 2023 , Edited by admin on Sat Dec 16 15:11:11 UTC 2023

PRIMARY

CAS

1416037-82-5

Created by admin on Sat Dec 16 15:11:11 UTC 2023 , Edited by admin on Sat Dec 16 15:11:11 UTC 2023

PRIMARY

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