cyclobutyl (E,4S)-4-[[(2S)-3-[3,4-bis(fluoranyl)phenyl]-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]propanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate

Systemtic Name: cyclobutyl (E,4S)-4-[[(2S)-3-[3,4-bis(fluoranyl)phenyl]-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]propanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate Openeye Name: cyclobutyl (E,4S)-4-[[(2S)-3-(3,4-difluorophenyl)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-5-(trifluoromethyl)-1-pyridyl]propanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate CAS Name: (E,4S)-4-[[(2S)-3-(3,4-difluorophenyl)-2-[3-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-1-oxopropyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid cyclobutyl ester IUPAC Name: cyclobutyl (E,4S)-4-[[(2S)-3-(3,4-difluorophenyl)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-5-(trifluoromethyl)pyridin-1-yl]propanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate Traditional Name: (E,4S)-4-[[(2S)-3-(3,4-difluorophenyl)-2-[2-keto-3-[(5-methylisoxazole-3-carbonyl)amino]-5-(trifluoromethyl)-1-pyridyl]propanoyl]amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid cyclobutyl ester Formula: C33H32F5N5O7 MolecularWeight: 705.628496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C(=O)NC2=CC(=CN(C2=O)C(CC3=CC(=C(C=C3)F)F)C(=O)NC(CC4CCNC4=O)C=CC(=O)OC5CCC5)C(F)(F)F

Isomeric SMILES

CC1=CC(=NO1)C(=O)NC2=CC(=CN(C2=O)[C@@H](CC3=CC(=C(C=C3)F)F)C(=O)N[C@@H](C[C@@H]4CCNC4=O)/C=C/C(=O)OC5CCC5)C(F)(F)F

InChI

InChI=1S/C33H32F5N5O7/c1-17-11-25(42-50-17)30(46)41-26-15-20(33(36,37)38)16-43(32(26)48)27(13-18-5-7-23(34)24(35)12-18)31(47)40-21(14-19-9-10-39-29(19)45)6-8-28(44)49-22-3-2-4-22/h5-8,11-12,15-16,19,21-22,27H,2-4,9-10,13-14H2,1H3,(H,39,45)(H,40,47)(H,41,46)/b8-6+/t19-,21+,27-/m0/s1