(Z,4S)-6-oxidanylidene-6-phenylmethoxy-4-(phenylmethoxycarbonylamino)hex-2-enoic acid

Systemtic Name: (Z,4S)-6-oxidanylidene-6-phenylmethoxy-4-(phenylmethoxycarbonylamino)hex-2-enoic acid Openeye Name: (Z,4S)-6-benzyloxy-4-(benzyloxycarbonylamino)-6-oxo-hex-2-enoic acid CAS Name: (Z,4S)-6-oxo-6-phenylmethoxy-4-(phenylmethoxycarbonylamino)-2-hexenoic acid IUPAC Name: (Z,4S)-6-oxo-6-phenylmethoxy-4-(phenylmethoxycarbonylamino)hex-2-enoic acid Traditional Name: (Z,4S)-6-benzoxy-4-(benzyloxycarbonylamino)-6-keto-hex-2-enoic acid Formula: C21H21NO6 MolecularWeight: 383.39454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)CC(C=CC(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C[C@@H](/C=C\C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H21NO6/c23-19(24)12-11-18(13-20(25)27-14-16-7-3-1-4-8-16)22-21(26)28-15-17-9-5-2-6-10-17/h1-12,18H,13-15H2,(H,22,26)(H,23,24)/b12-11-/t18-/m1/s1