N-[(2S)-1-[[(2R)-2-azanyl-3-phenyl-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3,5-dinitro-benzamide

Systemtic Name: N-[(2S)-1-[[(2R)-2-azanyl-3-phenyl-propyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3,5-dinitro-benzamide Openeye Name: N-[(1S)-2-[[(2R)-2-amino-3-phenyl-propyl]amino]-1-benzyl-2-oxo-ethyl]-3,5-dinitro-benzamide CAS Name: N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-3,5-dinitrobenzamide IUPAC Name: N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-3,5-dinitrobenzamide Traditional Name: N-[(1S)-2-[[(2R)-2-amino-3-phenyl-propyl]amino]-1-benzyl-2-keto-ethyl]-3,5-dinitro-benzamide Formula: C25H25N5O6 MolecularWeight: 491.4959

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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(=CC(=C3)[N+](=O)[O-])[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(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])N

InChI

InChI=1S/C25H25N5O6/c26-20(11-17-7-3-1-4-8-17)16-27-25(32)23(12-18-9-5-2-6-10-18)28-24(31)19-13-21(29(33)34)15-22(14-19)30(35)36/h1-10,13-15,20,23H,11-12,16,26H2,(H,27,32)(H,28,31)/t20-,23+/m1/s1