[(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropyl]-methoxy-phosphinic acid

Systemtic Name: [(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethyl-butanoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidin-2-yl]carbonylamino]-2-ethenyl-cyclopropyl]-methoxy-phosphinic acid Openeye Name: [(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carbonyl]amino]-2-vinyl-cyclopropyl]-methoxy-phosphinic acid CAS Name: [(1S,2S)-1-[[[(2S,4R)-1-[(2S)-2-[[cyclopentyloxy(oxo)methyl]amino]-3,3-dimethyl-1-oxobutyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinyl]-oxomethyl]amino]-2-ethenylcyclopropyl]-methoxyphosphinic acid IUPAC Name: [(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentyloxycarbonylamino)-3,3-dimethylbutanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]-2-ethenylcyclopropyl]-methoxyphosphinic acid Traditional Name: [(1S,2S)-1-[[(2S,4R)-1-[(2S)-2-(cyclopentoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]prolyl]amino]-2-vinyl-cyclopropyl]-methoxy-phosphinic acid Formula: C39H49N4O9P MolecularWeight: 748.801521

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2C=C)P(=O)(O)OC)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5)NC(=O)OC6CCCC6

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)N[C@@]2(C[C@H]2C=C)P(=O)(O)OC)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5)NC(=O)OC6CCCC6

InChI

InChI=1S/C39H49N4O9P/c1-7-25-22-39(25,53(47,48)50-6)42-35(44)32-20-28(23-43(32)36(45)34(38(2,3)4)41-37(46)52-26-15-11-12-16-26)51-33-21-30(24-13-9-8-10-14-24)40-31-19-27(49-5)17-18-29(31)33/h7-10,13-14,17-19,21,25-26,28,32,34H,1,11-12,15-16,20,22-23H2,2-6H3,(H,41,46)(H,42,44)(H,47,48)/t25-,28-,32+,34-,39+/m1/s1