ethyl (3S,4S)-3-acetyloxy-5-(4-nitrophenyl)-4-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: ethyl (3S,4S)-3-acetyloxy-5-(4-nitrophenyl)-4-(phenylmethoxycarbonylamino)pentanoate Openeye Name: ethyl (3S,4S)-3-acetoxy-4-(benzyloxycarbonylamino)-5-(4-nitrophenyl)pentanoate CAS Name: (3S,4S)-3-acetyloxy-5-(4-nitrophenyl)-4-(phenylmethoxycarbonylamino)pentanoic acid ethyl ester IUPAC Name: ethyl (3S,4S)-3-acetyloxy-5-(4-nitrophenyl)-4-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (3S,4S)-3-acetoxy-4-(benzyloxycarbonylamino)-5-(4-nitrophenyl)valeric acid ethyl ester Formula: C23H26N2O8 MolecularWeight: 458.46114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)OC(=O)C

Isomeric SMILES

CCOC(=O)C[C@@H]([C@H](CC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OCC2=CC=CC=C2)OC(=O)C

InChI

InChI=1S/C23H26N2O8/c1-3-31-22(27)14-21(33-16(2)26)20(13-17-9-11-19(12-10-17)25(29)30)24-23(28)32-15-18-7-5-4-6-8-18/h4-12,20-21H,3,13-15H2,1-2H3,(H,24,28)/t20-,21-/m0/s1