2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(1H-imidazol-5-yl)propanoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-(phenylalanylamino)propionic acid Formula: C15H18N4O3 MolecularWeight: 302.32842

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CN=CN2)C(=O)O)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC(CC2=CN=CN2)C(=O)O)N

InChI

InChI=1S/C15H18N4O3/c16-12(6-10-4-2-1-3-5-10)14(20)19-13(15(21)22)7-11-8-17-9-18-11/h1-5,8-9,12-13H,6-7,16H2,(H,17,18)(H,19,20)(H,21,22)