CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S,3R)-4-HYDROXY-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-((2S)-1-((2S,3R)-4-HYDROXY-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]6CCCN6C(=O)[C@@H](NC(=O)OC)[C@@H](C)CO

InChI

InChIKey=XVBMZAUQCGUAKX-YIBKTFNBSA-N

InChI=1S/C40H50N8O7/c1-23(2)33(45-39(52)54-4)37(50)47-18-6-8-31(47)35-41-20-29(43-35)27-14-10-25(11-15-27)26-12-16-28(17-13-26)30-21-42-36(44-30)32-9-7-19-48(32)38(51)34(24(3)22-49)46-40(53)55-5/h10-17,20-21,23-24,31-34,49H,6-9,18-19,22H2,1-5H3,(H,41,43)(H,42,44)(H,45,52)(H,46,53)/t24-,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 14:34:44 UTC 2023` Edited by `admin` on `Sat Dec 16 14:34:44 UTC 2023`
Record UNII	SY6HPB2YFS
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S,3R)-4-HYDROXY-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 2

Common Name

English

Code System Code Type Description

PUBCHEM

59668709

Created by admin on Sat Dec 16 14:34:44 UTC 2023 , Edited by admin on Sat Dec 16 14:34:44 UTC 2023

PRIMARY

FDA UNII

SY6HPB2YFS

Created by admin on Sat Dec 16 14:34:44 UTC 2023 , Edited by admin on Sat Dec 16 14:34:44 UTC 2023

PRIMARY

CAS

1009118-12-0

Created by admin on Sat Dec 16 14:34:44 UTC 2023 , Edited by admin on Sat Dec 16 14:34:44 UTC 2023

PRIMARY

Related Record Type Details


					LI2427F9CI

DACLATASVIR

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