2,2-dimethylpropyl (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: 2,2-dimethylpropyl (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: 2,2-dimethylpropyl (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 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl (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 neopentyl ester Formula: C29H36F3N5O7 MolecularWeight: 623.62065

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1CCNC1=O)C=CC(=O)OCC(C)(C)C)N2C=C(C=C(C2=O)NC(=O)C3=NOC(=C3)C)C(F)(F)F

Isomeric SMILES

CC[C@@H](C(=O)N[C@@H](C[C@@H]1CCNC1=O)/C=C/C(=O)OCC(C)(C)C)N2C=C(C=C(C2=O)NC(=O)C3=NOC(=C3)C)C(F)(F)F

InChI

InChI=1S/C29H36F3N5O7/c1-6-22(26(41)34-19(12-17-9-10-33-24(17)39)7-8-23(38)43-15-28(3,4)5)37-14-18(29(30,31)32)13-21(27(37)42)35-25(40)20-11-16(2)44-36-20/h7-8,11,13-14,17,19,22H,6,9-10,12,15H2,1-5H3,(H,33,39)(H,34,41)(H,35,40)/b8-7+/t17-,19+,22-/m0/s1