InChI=1S/C38H50N6O5.CH4O3S/c1-38(2,3)43-37(49)32-20-26-14-7-8-15-27(26)22-44(32)23-33(45)30(19-24-11-5-4-6-12-24)41-36(48)31(21-34(39)46)42-35(47)29-18-17-25-13-9-10-16-28(25)40-29;1-5(2,3)4/h4-6,9-13,16-18,26-27,30-33,45H,7-8,14-15,19-23H2,1-3H3,(H2,39,46)(H,41,48)(H,42,47)(H,43,49);1H3,(H,2,3,4)/t26-,27+,30-,31-,32-,33+;/m0./s1

【InChIKey】

InChIKey=IRHXGOXEBNJUSN-YOXDLBRISA-N

【SMILES】

CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](Cc3ccccc3)NC(=O)[C@H](CC(=O)N)NC(=O)c4ccc5ccccc5n4)O.CS(=O)(=O)O

【MOL File】

SAQUINAVIR MESYLATE.mol

2Chemical and Physical Properties

【Computed Properties】

H bond donor:5

H bond acceptor:11

XLogP3:2.0

Bulk/Fine:FB

3Material Safety Data Sheet(MSDS)

【WGK Germany】

4CML File

SAQUINAVIR MESYLATE.cml

Quick Release

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149845-06-7 SAQUINAVIR MESYLATE

1Identification

【Name】

【CAS】

【MDL】

【English Synonyms】

【Formula】

【MolWeight】

【Inchi】