(2S)-2-[[(2S)-2-benzamido-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-2-benzamido-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-2-benzamido-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[(2S)-2-benzamido-3-(4-nitrophenyl)-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[(2S)-2-benzamido-3-(4-nitrophenyl)propanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[(2S)-2-benzamido-3-(4-nitrophenyl)propanoyl]amino]-3-phenyl-propionic acid Formula: C25H23N3O6 MolecularWeight: 461.46662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23N3O6/c29-23(19-9-5-2-6-10-19)26-21(15-18-11-13-20(14-12-18)28(33)34)24(30)27-22(25(31)32)16-17-7-3-1-4-8-17/h1-14,21-22H,15-16H2,(H,26,29)(H,27,30)(H,31,32)/t21-,22-/m0/s1