(2R,4S)-2-[[(2S,4R)-4-[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxy-quinolin-4-yl]oxy-1-[(2S)-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-3,3-dimethyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-hex-5-enoic acid

Systemtic Name: (2R,4S)-2-[[(2S,4R)-4-[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxy-quinolin-4-yl]oxy-1-[(2S)-2-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]-3,3-dimethyl-butanoyl]pyrrolidin-2-yl]carbonylamino]-4-methyl-hex-5-enoic acid Openeye Name: (2R,4S)-2-[[(2S,4R)-4-[[2-(2-acetamidothiazol-4-yl)-7-methoxy-4-quinolyl]oxy]-1-[(2S)-2-[2-(cyclopentylamino)-2-oxo-ethyl]-3,3-dimethyl-butanoyl]pyrrolidine-2-carbonyl]amino]-4-methyl-hex-5-enoic acid CAS Name: (2R,4S)-2-[[[(2S,4R)-4-[[2-(2-acetamido-4-thiazolyl)-7-methoxy-4-quinolinyl]oxy]-1-[(2S)-2-[2-(cyclopentylamino)-2-oxoethyl]-3,3-dimethyl-1-oxobutyl]-2-pyrrolidinyl]-oxomethyl]amino]-4-methyl-5-hexenoic acid IUPAC Name: (2R,4S)-2-[[(2S,4R)-4-[2-(2-acetamido-1,3-thiazol-4-yl)-7-methoxyquinolin-4-yl]oxy-1-[(2S)-2-[2-(cyclopentylamino)-2-oxoethyl]-3,3-dimethylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylhex-5-enoic acid Traditional Name: (2R,4S)-2-[[(2S,4R)-4-[[2-(2-acetamidothiazol-4-yl)-7-methoxy-4-quinolyl]oxy]-1-[(2S)-2-[2-(cyclopentylamino)-2-keto-ethyl]-3,3-dimethyl-butanoyl]prolyl]amino]-4-methyl-hex-5-enoic acid Formula: C40H52N6O8S MolecularWeight: 776.94128

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(C(=O)O)NC(=O)C1CC(CN1C(=O)C(CC(=O)NC2CCCC2)C(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CSC(=N5)NC(=O)C)C=C

Isomeric SMILES

C[C@@H](C[C@H](C(=O)O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@@H](CC(=O)NC2CCCC2)C(C)(C)C)OC3=CC(=NC4=C3C=CC(=C4)OC)C5=CSC(=N5)NC(=O)C)C=C

InChI

InChI=1S/C40H52N6O8S/c1-8-22(2)15-31(38(51)52)44-36(49)33-17-26(20-46(33)37(50)28(40(4,5)6)18-35(48)42-24-11-9-10-12-24)54-34-19-30(32-21-55-39(45-32)41-23(3)47)43-29-16-25(53-7)13-14-27(29)34/h8,13-14,16,19,21-22,24,26,28,31,33H,1,9-12,15,17-18,20H2,2-7H3,(H,42,48)(H,44,49)(H,51,52)(H,41,45,47)/t22-,26-,28-,31-,33+/m1/s1