ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-4-oxidanylidene-heptanoyl]amino]-5-phenyl-pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-4-oxidanylidene-heptanoyl]amino]-5-phenyl-pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1,4-dioxoheptyl]amino]-5-phenyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-4-[[(2R,5S)-2-(4-fluorobenzyl)-4-keto-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]heptanoyl]amino]-5-phenyl-pent-2-enoic acid ethyl ester Formula: C33H38FN3O6 MolecularWeight: 591.669723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CC1=CC=CC=C1)NC(=O)C(CC2=CC=C(C=C2)F)CC(=O)C(C(C)C)NC(=O)C3=NOC(=C3)C

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=C(C=C2)F)CC(=O)[C@H](C(C)C)NC(=O)C3=NOC(=C3)C

InChI

InChI=1S/C33H38FN3O6/c1-5-42-30(39)16-15-27(19-23-9-7-6-8-10-23)35-32(40)25(18-24-11-13-26(34)14-12-24)20-29(38)31(21(2)3)36-33(41)28-17-22(4)43-37-28/h6-17,21,25,27,31H,5,18-20H2,1-4H3,(H,35,40)(H,36,41)/b16-15+/t25-,27-,31+/m1/s1