4-[[(2S)-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-phenyl-propanoyl]amino]benzoic acid

Systemtic Name: 4-[[(2S)-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]-3-phenyl-propanoyl]amino]benzoic acid Openeye Name: 4-[[(2S)-2-[(1-carboxy-3-phenyl-propyl)amino]-3-phenyl-propanoyl]amino]benzoic acid CAS Name: 4-[[(2S)-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxo-3-phenylpropyl]amino]benzoic acid IUPAC Name: 4-[[(2S)-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-3-phenylpropanoyl]amino]benzoic acid Traditional Name: 4-[[(2S)-2-[(1-carboxy-3-phenyl-propyl)amino]-3-phenyl-propanoyl]amino]benzoic acid Formula: C26H26N2O5 MolecularWeight: 446.49504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C26H26N2O5/c29-24(27-21-14-12-20(13-15-21)25(30)31)23(17-19-9-5-2-6-10-19)28-22(26(32)33)16-11-18-7-3-1-4-8-18/h1-10,12-15,22-23,28H,11,16-17H2,(H,27,29)(H,30,31)(H,32,33)/t22?,23-/m0/s1