(phenylmethyl) 4-[(2S)-3-oxidanyl-2-(3-phenylprop-2-enoylamino)propanoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[(2S)-3-oxidanyl-2-(3-phenylprop-2-enoylamino)propanoyl]-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-[(2S)-3-hydroxy-2-(3-phenylprop-2-enoylamino)propanoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(2S)-3-hydroxy-1-oxo-2-[(1-oxo-3-phenylprop-2-enyl)amino]propyl]-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[(2S)-3-hydroxy-2-(3-phenylprop-2-enoylamino)propanoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(2S)-2-cinnamamido-3-hydroxy-propanoyl]-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C25H29N3O5 MolecularWeight: 451.51486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)C(CO)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2)C(=O)[C@H](CO)NC(=O)C=CC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O5/c29-18-22(26-23(30)13-12-20-8-3-1-4-9-20)24(31)27-14-7-15-28(17-16-27)25(32)33-19-21-10-5-2-6-11-21/h1-6,8-13,22,29H,7,14-19H2,(H,26,30)/t22-/m0/s1