[[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]methyl 2-azanyl-3-phenyl-propanoate

Systemtic Name: [[2-[bis(azanyl)methylideneamino]phenyl]carbonylamino]methyl 2-azanyl-3-phenyl-propanoate Openeye Name: [(2-guanidinobenzoyl)amino]methyl 2-amino-3-phenyl-propanoate CAS Name: 2-amino-3-phenylpropanoic acid [[[2-(diaminomethylideneamino)phenyl]-oxomethyl]amino]methyl ester IUPAC Name: [[2-(diaminomethylideneamino)benzoyl]amino]methyl 2-amino-3-phenylpropanoate Traditional Name: 2-amino-3-phenyl-propionic acid [(2-guanidinobenzoyl)amino]methyl ester Formula: C18H21N5O3 MolecularWeight: 355.39104

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCNC(=O)C2=CC=CC=C2N=C(N)N)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCNC(=O)C2=CC=CC=C2N=C(N)N)N

InChI

InChI=1S/C18H21N5O3/c19-14(10-12-6-2-1-3-7-12)17(25)26-11-22-16(24)13-8-4-5-9-15(13)23-18(20)21/h1-9,14H,10-11,19H2,(H,22,24)(H4,20,21,23)