3-[[4-[bis(azanyl)methylideneamino]phenyl]methylamino]-3-oxidanylidene-2-phenyl-propanoic acid

Systemtic Name: 3-[[4-[bis(azanyl)methylideneamino]phenyl]methylamino]-3-oxidanylidene-2-phenyl-propanoic acid Openeye Name: 3-[(4-guanidinophenyl)methylamino]-3-oxo-2-phenyl-propanoic acid CAS Name: 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-3-oxo-2-phenylpropanoic acid IUPAC Name: 3-[[4-(diaminomethylideneamino)phenyl]methylamino]-3-oxo-2-phenylpropanoic acid Traditional Name: 3-[(4-guanidinobenzyl)amino]-3-keto-2-phenyl-propionic acid Formula: C17H18N4O3 MolecularWeight: 326.34982

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)N=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NCC2=CC=C(C=C2)N=C(N)N)C(=O)O

InChI

InChI=1S/C17H18N4O3/c18-17(19)21-13-8-6-11(7-9-13)10-20-15(22)14(16(23)24)12-4-2-1-3-5-12/h1-9,14H,10H2,(H,20,22)(H,23,24)(H4,18,19,21)