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

Systemtic Name: ethyl (E,4S)-4-[[(2R,5S)-6-methyl-5-[(5-methyl-1,2-oxazol-3-yl)carbonylamino]-4-oxidanylidene-2-(phenylmethyl)heptanoyl]amino]-5-phenyl-pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2R,5S)-2-benzyl-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]-4-oxo-heptanoyl]amino]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-4-[[(2R,5S)-6-methyl-5-[[(5-methyl-3-isoxazolyl)-oxomethyl]amino]-1,4-dioxo-2-(phenylmethyl)heptyl]amino]-5-phenyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2R,5S)-2-benzyl-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-benzyl-4-keto-6-methyl-5-[(5-methylisoxazole-3-carbonyl)amino]heptanoyl]amino]-5-phenyl-pent-2-enoic acid ethyl ester Formula: C33H39N3O6 MolecularWeight: 573.67926

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C33H39N3O6/c1-5-41-30(38)17-16-27(20-25-14-10-7-11-15-25)34-32(39)26(19-24-12-8-6-9-13-24)21-29(37)31(22(2)3)35-33(40)28-18-23(4)42-36-28/h6-18,22,26-27,31H,5,19-21H2,1-4H3,(H,34,39)(H,35,40)/b17-16+/t26-,27-,31+/m1/s1