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

Systemtic Name: 3-[[[3-[bis(azanyl)methylideneamino]phenyl]carbonylamino]carbamoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[[(3-guanidinobenzoyl)amino]carbamoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[[[[3-(diaminomethylideneamino)phenyl]-oxomethyl]hydrazo]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[[[3-(diaminomethylideneamino)benzoyl]amino]carbamoylamino]-3-phenylpropanoic acid Traditional Name: 3-[[(3-guanidinobenzoyl)amino]carbamoylamino]-3-phenyl-propionic acid Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)NNC(=O)C2=CC(=CC=C2)N=C(N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)NNC(=O)C2=CC(=CC=C2)N=C(N)N

InChI

InChI=1S/C18H20N6O4/c19-17(20)21-13-8-4-7-12(9-13)16(27)23-24-18(28)22-14(10-15(25)26)11-5-2-1-3-6-11/h1-9,14H,10H2,(H,23,27)(H,25,26)(H4,19,20,21)(H2,22,24,28)