cycloheptyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]butanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate

Systemtic Name: cycloheptyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-5-(trifluoromethyl)pyridin-1-yl]butanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate Openeye Name: cycloheptyl (E,4S)-4-[[(2S)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-5-(trifluoromethyl)-1-pyridyl]butanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-[3-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-1-oxobutyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid cycloheptyl ester IUPAC Name: cycloheptyl (E,4S)-4-[[(2S)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxo-5-(trifluoromethyl)pyridin-1-yl]butanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-[2-keto-3-[(5-methylisoxazole-3-carbonyl)amino]-5-(trifluoromethyl)-1-pyridyl]butanoyl]amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid cycloheptyl ester Formula: C31H38F3N5O7 MolecularWeight: 649.65793

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1CCNC1=O)C=CC(=O)OC2CCCCCC2)N3C=C(C=C(C3=O)NC(=O)C4=NOC(=C4)C)C(F)(F)F

Isomeric SMILES

CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(=O)OC2CCCCCC2)N3C=C(C=C(C3=O)NC(=O)C4=NOC(=C4)C)C(F)(F)F

InChI

InChI=1S/C31H38F3N5O7/c1-3-25(39-17-20(31(32,33)34)16-24(30(39)44)37-28(42)23-14-18(2)46-38-23)29(43)36-21(15-19-12-13-35-27(19)41)10-11-26(40)45-22-8-6-4-5-7-9-22/h10-11,14,16-17,19,21-22,25H,3-9,12-13,15H2,1-2H3,(H,35,41)(H,36,43)(H,37,42)/b11-10+/t19-,21+,25-/m0/s1