U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

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

SMILES

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

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
N-(METHOXYCARBONYL)-3-METHYL-L-VALINE 2-((2S,3S)-3-(((2S)-2-AMINO-3,3-DIMETHYL-1-OXOBUTYL)AMINO)-2-HYDROXY-4-PHENYLBUTYL)-2-((4-(2-PYRIDINYL)PHENYL)METHYL)HYDRAZIDE
Systematic Name English
L-VALINE, N-(METHOXYCARBONYL)-3-METHYL-, 2-((2S,3S)-3-(((2S)-2-AMINO-3,3-DIMETHYL-1-OXOBUTYL)AMINO)-2-HYDROXY-4-PHENYLBUTYL)-2-((4-(2-PYRIDINYL)PHENYL)METHYL)HYDRAZIDE
Systematic Name English
ATAZANAVIR METABOLITE M6
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID40109942
Created by admin on Sat Dec 16 15:33:30 GMT 2023 , Edited by admin on Sat Dec 16 15:33:30 GMT 2023
PRIMARY
PUBCHEM
118753151
Created by admin on Sat Dec 16 15:33:30 GMT 2023 , Edited by admin on Sat Dec 16 15:33:30 GMT 2023
PRIMARY
CAS
1192224-26-2
Created by admin on Sat Dec 16 15:33:30 GMT 2023 , Edited by admin on Sat Dec 16 15:33:30 GMT 2023
PRIMARY
FDA UNII
JWV15QH0OB
Created by admin on Sat Dec 16 15:33:30 GMT 2023 , Edited by admin on Sat Dec 16 15:33:30 GMT 2023
PRIMARY