CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-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	C38H48N8O4
Molecular Weight	680.8389
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of CARBAMIC ACID, N-((1S)-1-(((2S)-2-(5-(4'-(2-((2S)-1-((2S)-2-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](N)C(C)C

InChI

InChIKey=MVHPYSUOFBRALS-YRCZKMHPSA-N

InChI=1S/C38H48N8O4/c1-22(2)32(39)36(47)45-18-6-8-30(45)34-40-20-28(42-34)26-14-10-24(11-15-26)25-12-16-27(17-13-25)29-21-41-35(43-29)31-9-7-19-46(31)37(48)33(23(3)4)44-38(49)50-5/h10-17,20-23,30-33H,6-9,18-19,39H2,1-5H3,(H,40,42)(H,41,43)(H,44,49)/t30-,31-,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H48N8O4
Molecular Weight	680.8389
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 14:35:23 UTC 2023` Edited by `admin` on `Sat Dec 16 14:35:23 UTC 2023`
Record UNII	5V6X9P8JH9
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)-2-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 4

Common Name

English

Code System Code Type Description

CAS

1007884-53-8

Created by admin on Sat Dec 16 14:35:23 UTC 2023 , Edited by admin on Sat Dec 16 14:35:23 UTC 2023

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FDA UNII

5V6X9P8JH9

Created by admin on Sat Dec 16 14:35:23 UTC 2023 , Edited by admin on Sat Dec 16 14:35:23 UTC 2023

PRIMARY

PUBCHEM

24897982

Created by admin on Sat Dec 16 14:35:23 UTC 2023 , Edited by admin on Sat Dec 16 14:35:23 UTC 2023

PRIMARY

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DACLATASVIR

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