2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]phenyl]carbonylamino]benzoic acid

Systemtic Name: 2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]phenyl]carbonylamino]benzoic acid Openeye Name: 2-[[2-[(2-amino-3-phenyl-propanoyl)amino]benzoyl]amino]benzoic acid CAS Name: 2-[[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]phenyl]-oxomethyl]amino]benzoic acid IUPAC Name: 2-[[2-[(2-amino-3-phenylpropanoyl)amino]benzoyl]amino]benzoic acid Traditional Name: 2-[[2-(phenylalanylamino)benzoyl]amino]benzoic acid Formula: C23H21N3O4 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC=C2C(=O)NC3=CC=CC=C3C(=O)O)N

InChI

InChI=1S/C23H21N3O4/c24-18(14-15-8-2-1-3-9-15)22(28)26-19-12-6-4-10-16(19)21(27)25-20-13-7-5-11-17(20)23(29)30/h1-13,18H,14,24H2,(H,25,27)(H,26,28)(H,29,30)