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

Systemtic Name: [1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-pyrrolidin-2-yl]carbonylamino]cyclopropyl]phosphonic acid Openeye Name: [1-[[(2S,4R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]pyrrolidine-2-carbonyl]amino]cyclopropyl]phosphonic acid CAS Name: [1-[[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-2-pyrrolidinyl]-oxomethyl]amino]cyclopropyl]phosphonic acid IUPAC Name: [1-[[(2S,4R)-1-[(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxypyrrolidine-2-carbonyl]amino]cyclopropyl]phosphonic acid Traditional Name: [1-[[(2S,4R)-1-[(2S)-2-(tert-butoxycarbonylamino)-3,3-dimethyl-butanoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]prolyl]amino]cyclopropyl]phosphonic acid Formula: C35H45N4O9P MolecularWeight: 696.726961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CC(CC1C(=O)NC2(CC2)P(=O)(O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1C[C@@H](C[C@H]1C(=O)NC2(CC2)P(=O)(O)O)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5)NC(=O)OC(C)(C)C

InChI

InChI=1S/C35H45N4O9P/c1-33(2,3)29(37-32(42)48-34(4,5)6)31(41)39-20-23(18-27(39)30(40)38-35(15-16-35)49(43,44)45)47-28-19-25(21-11-9-8-10-12-21)36-26-17-22(46-7)13-14-24(26)28/h8-14,17,19,23,27,29H,15-16,18,20H2,1-7H3,(H,37,42)(H,38,40)(H2,43,44,45)/t23-,27+,29-/m1/s1