3-METHYL-L-VALINE 2-((2S,3S)-2-HYDROXY-3-(((2S)-2-((METHOXYCARBONYL)AMINO)-3,3-DIMETHYL-1-OXOBUTYL)AMINO)-4-PHENYLBUTYL)-2-((4-(2-PYRIDINYL)PHENYL)METHYL)HYDRAZIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C36H50N6O5
Molecular Weight	646.8194
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3-METHYL-L-VALINE 2-((2S,3S)-2-HYDROXY-3-(((2S)-2-((METHOXYCARBONYL)AMINO)-3,3-DIMETHYL-1-OXOBUTYL)AMINO)-4-PHENYLBUTYL)-2-((4-(2-PYRIDINYL)PHENYL)METHYL)HYDRAZIDE

Structure Search

SMILES

COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)[C@@H](N)C(C)(C)C)C(C)(C)C

InChI

InChIKey=JTDOEPWAZDTPRH-SYQUUIDJSA-N

InChI=1S/C36H50N6O5/c1-35(2,3)30(37)32(44)41-42(22-25-16-18-26(19-17-25)27-15-11-12-20-38-27)23-29(43)28(21-24-13-9-8-10-14-24)39-33(45)31(36(4,5)6)40-34(46)47-7/h8-20,28-31,43H,21-23,37H2,1-7H3,(H,39,45)(H,40,46)(H,41,44)/t28-,29-,30+,31+/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

3-METHYL-L-VALINE 2-((2S,3S)-2-HYDROXY-3-(((2S)-2-((METHOXYCARBONYL)AMINO)-3,3-DIMETHYL-1-OXOBUTYL)AMINO)-4-PHENYLBUTYL)-2-((4-(2-PYRIDINYL)PHENYL)METHYL)HYDRAZIDE

Systematic Name

English

ATAZANAVIR METABOLITE M5

Common Name

English

L-VALINE, 3-METHYL-, 2-((2S,3S)-2-HYDROXY-3-(((2S)-2-((METHOXYCARBONYL)AMINO)-3,3-DIMETHYL-1-OXOBUTYL)AMINO)-4-PHENYLBUTYL)-2-((4-(2-PYRIDINYL)PHENYL)METHYL)HYDRAZIDE

Systematic Name

English

Code System Code Type Description

FDA UNII

UXV8UVW0O3

Created by admin on Sat Dec 16 15:17:36 GMT 2023 , Edited by admin on Sat Dec 16 15:17:36 GMT 2023

PRIMARY

CAS

1028634-76-5

Created by admin on Sat Dec 16 15:17:36 GMT 2023 , Edited by admin on Sat Dec 16 15:17:36 GMT 2023

PRIMARY

PUBCHEM