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

Systemtic Name: 2-azanyl-3-[4-[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]phenyl]propanoic acid Openeye Name: 2-amino-3-[4-[(3-guanidinobenzoyl)amino]phenyl]propanoic acid CAS Name: 2-amino-3-[4-[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]amino]phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-[[3-(diaminomethylideneamino)benzoyl]amino]phenyl]propanoic acid Traditional Name: 2-amino-3-[4-[(3-guanidinobenzoyl)amino]phenyl]propionic acid Formula: C17H19N5O3 MolecularWeight: 341.36446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N=C(N)N)C(=O)NC2=CC=C(C=C2)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)N=C(N)N)C(=O)NC2=CC=C(C=C2)CC(C(=O)O)N

InChI

InChI=1S/C17H19N5O3/c18-14(16(24)25)8-10-4-6-12(7-5-10)21-15(23)11-2-1-3-13(9-11)22-17(19)20/h1-7,9,14H,8,18H2,(H,21,23)(H,24,25)(H4,19,20,22)