ethyl (E,4S)-7-azanyl-7-oxidanylidene-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hept-2-enoate

Systemtic Name: ethyl (E,4S)-7-azanyl-7-oxidanylidene-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hept-2-enoate Openeye Name: ethyl (E,4S)-7-amino-4-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-7-oxo-hept-2-enoate CAS Name: (E,4S)-7-amino-7-oxo-4-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-7-amino-7-oxo-4-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hept-2-enoate Traditional Name: (E,4S)-7-amino-4-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C26H31N3O6 MolecularWeight: 481.54084

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H31N3O6/c1-2-34-24(31)16-14-21(13-15-23(27)30)28-25(32)22(17-19-9-5-3-6-10-19)29-26(33)35-18-20-11-7-4-8-12-20/h3-12,14,16,21-22H,2,13,15,17-18H2,1H3,(H2,27,30)(H,28,32)(H,29,33)/b16-14+/t21-,22-/m0/s1