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】

InChIKey=AXRYRYVKAWYZBR-GASGPIRDSA-N

【SMILES】

CC(C)(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3ccccn3)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC

【MOL File】

ATAZANAVIR.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:5

H bond acceptor:13

XLogP3:2.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

4CML File

ATAZANAVIR.cml

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198904-31-3 ATAZANAVIR

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】