METHYL N-((1S)-2-METHYL-1-((2S)-2-(5-(4-(4-OXALDEHYDOYLPHENYL)PHENYL)-1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBONYL)PROPYL)CARBAMATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C28H30N4O5
Molecular Weight	502.5616
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of METHYL N-((1S)-2-METHYL-1-((2S)-2-(5-(4-(4-OXALDEHYDOYLPHENYL)PHENYL)-1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBONYL)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)C(=O)C=O

InChI

InChIKey=BZTFLGCEMYAESN-ZCYQVOJMSA-N

InChI=1S/C28H30N4O5/c1-17(2)25(31-28(36)37-3)27(35)32-14-4-5-23(32)26-29-15-22(30-26)20-10-6-18(7-11-20)19-8-12-21(13-9-19)24(34)16-33/h6-13,15-17,23,25H,4-5,14H2,1-3H3,(H,29,30)(H,31,36)/t23-,25-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C28H30N4O5
Molecular Weight	502.5616
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 15:11:27 UTC 2023` Edited by `admin` on `Sat Dec 16 15:11:27 UTC 2023`
Record UNII	GE6B44J7GP
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

METHYL N-((1S)-2-METHYL-1-((2S)-2-(5-(4-(4-OXALDEHYDOYLPHENYL)PHENYL)-1H-IMIDAZOL-2-YL)PYRROLIDINE-1-CARBONYL)PROPYL)CARBAMATE

Systematic Name

English

DACLATASVIR METABOLITE 22

Common Name

English

Code System Code Type Description

PUBCHEM

156614007

Created by admin on Sat Dec 16 15:11:27 UTC 2023 , Edited by admin on Sat Dec 16 15:11:27 UTC 2023

PRIMARY

FDA UNII

GE6B44J7GP

Created by admin on Sat Dec 16 15:11:27 UTC 2023 , Edited by admin on Sat Dec 16 15:11:27 UTC 2023

PRIMARY

Related Record Type Details


					LI2427F9CI

DACLATASVIR

PARENT -> METABOLITE