N-[(2S)-1-[[(2R)-2-azanyl-3-phenyl-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(2S)-1-[[(2R)-2-azanyl-3-phenyl-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1S)-2-[[(2R)-2-amino-3-phenyl-propyl]amino]-1-benzyl-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-4-nitrobenzamide Traditional Name: N-[(1S)-2-[[(2R)-2-amino-3-phenyl-propyl]amino]-1-benzyl-2-keto-ethyl]-4-nitro-benzamide Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26N4O4/c26-21(15-18-7-3-1-4-8-18)17-27-25(31)23(16-19-9-5-2-6-10-19)28-24(30)20-11-13-22(14-12-20)29(32)33/h1-14,21,23H,15-17,26H2,(H,27,31)(H,28,30)/t21-,23+/m1/s1