2-(aminomethyl)-3-[3-[(4-carbamimidoylphenyl)carbonylamino]phenyl]-3-oxidanylidene-propanoic acid

Systemtic Name: 2-(aminomethyl)-3-[3-[(4-carbamimidoylphenyl)carbonylamino]phenyl]-3-oxidanylidene-propanoic acid Openeye Name: 2-(aminomethyl)-3-[3-[(4-carbamimidoylbenzoyl)amino]phenyl]-3-oxo-propanoic acid CAS Name: 2-(aminomethyl)-3-[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]phenyl]-3-oxopropanoic acid IUPAC Name: 2-(aminomethyl)-3-[3-[(4-carbamimidoylbenzoyl)amino]phenyl]-3-oxopropanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]phenyl]-2-(aminomethyl)-3-keto-propionic acid Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4/c19-9-14(18(25)26)15(23)12-2-1-3-13(8-12)22-17(24)11-6-4-10(5-7-11)16(20)21/h1-8,14H,9,19H2,(H3,20,21)(H,22,24)(H,25,26)