4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-CARBOXYLIC ACID

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C27H30N4O5
Molecular Weight	490.5509
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-CARBOXYLIC ACID

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)C(O)=O

InChI

InChIKey=GSUPGJSDZRRIKZ-GOTSBHOMSA-N

InChI=1S/C27H30N4O5/c1-16(2)23(30-27(35)36-3)25(32)31-14-4-5-22(31)24-28-15-21(29-24)19-10-6-17(7-11-19)18-8-12-20(13-9-18)26(33)34/h6-13,15-16,22-23H,4-5,14H2,1-3H3,(H,28,29)(H,30,35)(H,33,34)/t22-,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-CARBOXYLIC ACID

Systematic Name

English

DACLATASVIR METABOLITE 26

Common Name

English

(1,1'-BIPHENYL)-4-CARBOXYLIC ACID, 4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

4K8JA2N2S8

Created by admin on Sat Dec 16 14:35:05 GMT 2023 , Edited by admin on Sat Dec 16 14:35:05 GMT 2023

PRIMARY

PUBCHEM

67494743

Created by admin on Sat Dec 16 14:35:05 GMT 2023 , Edited by admin on Sat Dec 16 14:35:05 GMT 2023

PRIMARY

CAS

1374891-48-1

Created by admin on Sat Dec 16 14:35:05 GMT 2023 , Edited by admin on Sat Dec 16 14:35:05 GMT 2023

PRIMARY

PARENT (METABOLITE)


					LI2427F9CI

DACLATASVIR

SUBSTANCE RECORD


					4K8JA2N2S8

4'-(2-((2S)-1-((2S)-2-((METHOXYCARBONYL)AMINO)-3-METHYL-1-OXOBUTYL)-2-PYRROLIDINYL)-1H-IMIDAZOL-5-YL)(1,1'-BIPHENYL)-4-CARBOXYLIC ACID