METHYL N-((1S)-1-((2S)-2-(5-(4-(4-((8S)-8-(((2S)-2-AMINO-3-METHYL-BUTANOYL)AMINO)-5-HYDROXY-5,6,7,8-TETRAHYDROIMIDAZO(1,2-A)PYRIDIN-3-YL)PHENYL)PHENYL)-1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL)CARBAMATE

Details

Stereochemistry	EPIMERIC
Molecular Formula	C38H48N8O5
Molecular Weight	696.8383
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL N-((1S)-1-((2S)-2-(5-(4-(4-((8S)-8-(((2S)-2-AMINO-3-METHYL-BUTANOYL)AMINO)-5-HYDROXY-5,6,7,8-TETRAHYDROIMIDAZO(1,2-A)PYRIDIN-3-YL)PHENYL)PHENYL)-1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL)CARBAMATE

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=C6[C@H](CCC(O)N56)NC(=O)[C@@H](N)C(C)C

InChI

InChIKey=CSQFVYCRQCBNFU-ZIAGLFLBSA-N

InChI=1S/C38H48N8O5/c1-21(2)32(39)36(48)43-27-16-17-31(47)46-30(20-41-35(27)46)26-14-10-24(11-15-26)23-8-12-25(13-9-23)28-19-40-34(42-28)29-7-6-18-45(29)37(49)33(22(3)4)44-38(50)51-5/h8-15,19-22,27,29,31-33,47H,6-7,16-18,39H2,1-5H3,(H,40,42)(H,43,48)(H,44,50)/t27-,29-,31?,32-,33-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C38H48N8O5
Molecular Weight	696.8383
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	4 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:11:11 GMT 2023` Edited by `admin` on `Sat Dec 16 15:11:11 GMT 2023`
Record UNII	H8C9RV6JWH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYL N-((1S)-1-((2S)-2-(5-(4-(4-((8S)-8-(((2S)-2-AMINO-3-METHYL-BUTANOYL)AMINO)-5-HYDROXY-5,6,7,8-TETRAHYDROIMIDAZO(1,2-A)PYRIDIN-3-YL)PHENYL)PHENYL)-1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBONYL)-2-METHYL-PROPYL)CARBAMATE

Systematic Name

English

DACLATASVIR METABOLITE 5

Common Name

English

Code System Code Type Description

PUBCHEM

165412008

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

PRIMARY

FDA UNII

H8C9RV6JWH

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

PRIMARY

Related Record Type Details


					LI2427F9CI

DACLATASVIR

PARENT -> METABOLITE