ethyl (E,4S)-4-[[(2R,5S)-6-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)heptanoyl]amino]-5-phenyl-pent-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2R,5S)-6-methyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)heptanoyl]amino]-5-phenyl-pent-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-6-methyl-4-oxo-heptanoyl]amino]-5-phenyl-pent-2-enoate CAS Name: (E,4S)-4-[[(2R,5S)-6-methyl-1,4-dioxo-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)heptyl]amino]-5-phenyl-2-pentenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2R,5S)-2-benzyl-6-methyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoyl]amino]-5-phenylpent-2-enoate Traditional Name: (E,4S)-4-[[(2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-4-keto-6-methyl-heptanoyl]amino]-5-phenyl-pent-2-enoic acid ethyl ester Formula: C36H42N2O6 MolecularWeight: 598.72848

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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)OCC3=CC=CC=C3

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)OCC3=CC=CC=C3

InChI

InChI=1S/C36H42N2O6/c1-4-43-33(40)21-20-31(23-28-16-10-6-11-17-28)37-35(41)30(22-27-14-8-5-9-15-27)24-32(39)34(26(2)3)38-36(42)44-25-29-18-12-7-13-19-29/h5-21,26,30-31,34H,4,22-25H2,1-3H3,(H,37,41)(H,38,42)/b21-20+/t30-,31-,34+/m1/s1