ethyl (E,5S)-4-oxidanylidene-5-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate

Systemtic Name: ethyl (E,5S)-4-oxidanylidene-5-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate Openeye Name: ethyl (E,5S)-5-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-oxo-hex-2-enoate CAS Name: (E,5S)-4-oxo-5-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]-2-hexenoic acid ethyl ester IUPAC Name: ethyl (E,5S)-4-oxo-5-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]hex-2-enoate Traditional Name: (E,5S)-5-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-keto-hex-2-enoic acid ethyl ester Formula: C25H28N2O6 MolecularWeight: 452.49962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O6/c1-3-32-23(29)15-14-22(28)18(2)26-24(30)21(16-19-10-6-4-7-11-19)27-25(31)33-17-20-12-8-5-9-13-20/h4-15,18,21H,3,16-17H2,1-2H3,(H,26,30)(H,27,31)/b15-14+/t18-,21-/m0/s1