(3S,4AS,8AS)-N-(1,1-DIMETHYLETHYL)DECAHYDRO-2-[(2R,3R)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-(PHENYLTHIO)BUTYL]-3-ISOQUINOLINECARBOXAMIDE METHANESULFONATE HYDRATE

CAS No.
CCD No.
CCD03478452
Formula
C32 H45 N3 O4 S . C H4 O2 S2
MolWeight
679.963

Basic Information

Product Name: (3S,4AS,8AS)-N-(1,1-DIMETHYLETHYL)DECAHYDRO-2-[(2R,3R)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-(PHENYLTHIO)BUTYL]-3-ISOQUINOLINECARBOXAMIDE METHANESULFONATE HYDRATE
English Synonyms: AG-1343 MESYLATE HYDRATE ; NELFINAVIR METHANESULFONATE HYDRATE ; (3S,4AS,8AS)-N-(1,1-DIMETHYLETHYL)DECAHYDRO-2-[(2R,3R)-2-HYDROXY-3-[(3-HYDROXY-2-METHYLBENZOYL)AMINO]-4-(PHENYLTHIO)BUTYL]-3-ISOQUINOLINECARBOXAMIDE METHANESULFONATE HYDRATE ; NELFINAVIR MESYLATE HYDRATE
MDL Number.: MFCD17215948
H bond acceptor: 7
H bond donor: 4
Smile: Cc1c(cccc1O)C(=O)N[C@@H](CSc2ccccc2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)S
InChi: InChI=1S/C32H45N3O4S.CH4O2S2/c1-21-25(15-10-16-28(21)36)30(38)33-26(20-40-24-13-6-5-7-14-24)29(37)19-35-18-23-12-9-8-11-22(23)17-27(35)31(39)34-32(2,3)4;1-5(2,3)4/h5-7,10,13-16,22-23,26-27,29,36-37H,8-9,11-12,17-20H2,1-4H3,(H,33,38)(H,34,39);1H3,(H,2,3,4)/t22-,23+,26-,27-,29+;/m0./s1
InChiKey: InChIKey=KHTXWTAHLGEAHB-SKXNDZRYSA-N

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