N-[[ethanoyl-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]-4-nitro-benzamide

Systemtic Name: N-[[ethanoyl-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]-4-nitro-benzamide Openeye Name: N-[[acetyl-[(1S)-1-benzyl-2-(benzylamino)-2-oxo-ethyl]amino]methyl]-4-nitro-benzamide CAS Name: N-[[acetyl-[(2S)-1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]amino]methyl]-4-nitrobenzamide IUPAC Name: N-[[acetyl-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]amino]methyl]-4-nitrobenzamide Traditional Name: N-[[acetyl-[(1S)-1-benzyl-2-(benzylamino)-2-keto-ethyl]amino]methyl]-4-nitro-benzamide Formula: C26H26N4O5 MolecularWeight: 474.50844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N(CNC(=O)C1=CC=C(C=C1)[N+](=O)[O-])[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H26N4O5/c1-19(31)29(18-28-25(32)22-12-14-23(15-13-22)30(34)35)24(16-20-8-4-2-5-9-20)26(33)27-17-21-10-6-3-7-11-21/h2-15,24H,16-18H2,1H3,(H,27,33)(H,28,32)/t24-/m0/s1