tert-butyl (2S)-2-[[(1S,4S)-2-[[(2S)-1-[(2,5-dimethoxyphenyl)-ethyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-cyclopent-2-en-1-yl]carbonylamino]butanoate

Systemtic Name: tert-butyl (2S)-2-[[(1S,4S)-2-[[(2S)-1-[(2,5-dimethoxyphenyl)-ethyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]-4-(7-methoxy-2-phenyl-quinolin-4-yl)oxy-cyclopent-2-en-1-yl]carbonylamino]butanoate Openeye Name: tert-butyl (2S)-2-[[(1S,4S)-2-[[(1S)-1-[(2,5-dimethoxyphenyl)-ethyl-carbamoyl]-2-methyl-propyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]cyclopent-2-ene-1-carbonyl]amino]butanoate CAS Name: (2S)-2-[[[(1S,4S)-2-[[[(2S)-1-(N-ethyl-2,5-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]-4-[(7-methoxy-2-phenyl-4-quinolinyl)oxy]-1-cyclopent-2-enyl]-oxomethyl]amino]butanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(1S,4S)-2-[[(2S)-1-(N-ethyl-2,5-dimethoxyanilino)-3-methyl-1-oxobutan-2-yl]carbamoyl]-4-(7-methoxy-2-phenylquinolin-4-yl)oxycyclopent-2-ene-1-carbonyl]amino]butanoate Traditional Name: (2S)-2-[[(1S,4S)-2-[[(1S)-1-[(2,5-dimethoxyphenyl)-ethyl-carbamoyl]-2-methyl-propyl]carbamoyl]-4-[(7-methoxy-2-phenyl-4-quinolyl)oxy]cyclopent-2-ene-1-carbonyl]amino]butyric acid tert-butyl ester Formula: C46H56N4O9 MolecularWeight: 808.95824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC(C)(C)C)NC(=O)C1CC(C=C1C(=O)NC(C(C)C)C(=O)N(CC)C2=C(C=CC(=C2)OC)OC)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5

Isomeric SMILES

CC[C@@H](C(=O)OC(C)(C)C)NC(=O)[C@H]1C[C@@H](C=C1C(=O)N[C@@H](C(C)C)C(=O)N(CC)C2=C(C=CC(=C2)OC)OC)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CC=CC=C5

InChI

InChI=1S/C46H56N4O9/c1-11-35(45(54)59-46(5,6)7)48-42(51)33-22-31(58-40-26-36(28-16-14-13-15-17-28)47-37-24-29(55-8)18-20-32(37)40)23-34(33)43(52)49-41(27(3)4)44(53)50(12-2)38-25-30(56-9)19-21-39(38)57-10/h13-21,23-27,31,33,35,41H,11-12,22H2,1-10H3,(H,48,51)(H,49,52)/t31-,33-,35-,41-/m0/s1