(3R,8S,9S,12S)-Atazanavir


CAS No. : 1332981-14-2

(3R,8S,9S,12S)-Atazanavir,1332981-14-2
Product Details
Cat No:R061905
Synonyms:(3R,8S,9S,12S)-3,12-Bis(1,1-dimethylethyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-6-[[4-(2-pyridinyl)phenyl]methyl]-2,5,6,10,13-pentaazatetradecanedioic Acid 1,14-Dimethyl Ester
Molecular Formula:C38H52N6O7
Molecular Weight:704.869
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Cat No:R061905
Cas No:1332981-14-2
Product-Name:(3R,8S,9S,12S)-Atazanavir
IUPAC Name:methyl N-[(2R)-1-[2-[(2S,3S)-2-hydroxy-3-[[(2S)-2-(methoxycarbonylamino)-3,3-dimethylbutanoyl]amino]-4-phenylbutyl]-2-[(4-pyridin-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
InChI:InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32-/m0/s1
InChIKey:AXRYRYVKAWYZBR-IHZBLBIESA-N
SMILES:CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
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