(2S)-2-[[(1R,2R,4S)-2-[[(2S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxidanylidene-ethyl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-cyclopentyl]carbonylamino]pentanoic acid

Systemtic Name: (2S)-2-[[(1R,2R,4S)-2-[[(2S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxidanylidene-ethyl]amino]-3,3-dimethyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-cyclopentyl]carbonylamino]pentanoic acid Openeye Name: (2S)-2-[[(1R,2R,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxo-ethyl]carbamoyl]-2,2-dimethyl-propyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]cyclopentanecarbonyl]amino]pentanoic acid CAS Name: (2S)-2-[[[(1R,2R,4S)-2-[[[(2S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-oxomethyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]cyclopentyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-2-[[(1R,2R,4S)-2-[[(2S)-1-[[(1S)-1-cyclohexyl-2-methoxy-2-oxoethyl]amino]-3,3-dimethyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopentanecarbonyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(1R,2R,4S)-2-[[(1S)-1-[[(1S)-1-cyclohexyl-2-keto-2-methoxy-ethyl]carbamoyl]-2,2-dimethyl-propyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]cyclopentanecarbonyl]amino]valeric acid Formula: C43H56N4O9 MolecularWeight: 772.92614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)O)NC(=O)C1CC(CC1C(=O)NC(C(=O)NC(C2CCCCC2)C(=O)OC)C(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CCC[C@@H](C(=O)O)NC(=O)[C@@H]1C[C@H](C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C2CCCCC2)C(=O)OC)C(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C43H56N4O9/c1-7-14-32(41(51)52)45-38(48)30-21-28(56-35-24-33(25-15-10-8-11-16-25)44-34-23-27(54-5)19-20-29(34)35)22-31(30)39(49)47-37(43(2,3)4)40(50)46-36(42(53)55-6)26-17-12-9-13-18-26/h8,10-11,15-16,19-20,23-24,26,28,30-32,36-37H,7,9,12-14,17-18,21-22H2,1-6H3,(H,45,48)(H,46,50)(H,47,49)(H,51,52)/t28-,30-,31-,32+,36+,37-/m1/s1