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

Systemtic Name: tert-butyl (E,4S)-4-[[(2S)-3-[3,4-bis(fluoranyl)phenyl]-2-[3-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-2-oxidanylidene-pyridin-1-yl]propanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pent-2-enoate Openeye Name: tert-butyl (E,4S)-4-[[(2S)-3-(3,4-difluorophenyl)-2-[3-[(5-methylisoxazole-3-carbonyl)amino]-2-oxo-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-1-pyridinyl]-1-oxopropyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoic acid tert-butyl ester IUPAC Name: tert-butyl (E,4S)-4-[[(2S)-3-(3,4-difluorophenyl)-2-[3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-oxopyridin-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]-1-pyridyl]propanoyl]amino]-5-[(3S)-2-ketopyrrolidin-3-yl]pent-2-enoic acid tert-butyl ester Formula: C32H35F2N5O7 MolecularWeight: 639.646406

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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)OC(C)(C)C

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)OC(C)(C)C

InChI

InChI=1S/C32H35F2N5O7/c1-18-14-25(38-46-18)29(42)37-24-6-5-13-39(31(24)44)26(16-19-7-9-22(33)23(34)15-19)30(43)36-21(17-20-11-12-35-28(20)41)8-10-27(40)45-32(2,3)4/h5-10,13-15,20-21,26H,11-12,16-17H2,1-4H3,(H,35,41)(H,36,43)(H,37,42)/b10-8+/t20-,21+,26-/m0/s1