2-[(4-carbamimidoylphenyl)carbonylamino]-3-[4-(carboxymethyloxy)phenyl]propanoic acid hydrate

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonylamino]-3-[4-(carboxymethyloxy)phenyl]propanoic acid hydrate Openeye Name: 2-[(4-carbamimidoylbenzoyl)amino]-3-[4-(carboxymethyloxy)phenyl]propanoic acid hydrate CAS Name: 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-[4-(carboxymethyloxy)phenyl]propanoic acid hydrate IUPAC Name: 2-[(4-carbamimidoylbenzoyl)amino]-3-[4-(carboxymethyloxy)phenyl]propanoic acid hydrate Traditional Name: 2-[(4-amidinobenzoyl)amino]-3-[4-(carboxymethyloxy)phenyl]propionic acid hydrate Formula: C19H21N3O7 MolecularWeight: 403.38594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N)OCC(=O)O.O

Isomeric SMILES

C1=CC(=CC=C1CC(C(=O)O)NC(=O)C2=CC=C(C=C2)C(=N)N)OCC(=O)O.O

InChI

InChI=1S/C19H19N3O6.H2O/c20-17(21)12-3-5-13(6-4-12)18(25)22-15(19(26)27)9-11-1-7-14(8-2-11)28-10-16(23)24;/h1-8,15H,9-10H2,(H3,20,21)(H,22,25)(H,23,24)(H,26,27);1H2