3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-2-methyl-propanoic acid

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbonylamino]propanoylamino]-2-methyl-propanoic acid Openeye Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-2-methyl-propanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-2-methylpropanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]-2-methylpropanoic acid Traditional Name: 3-[3-[(4-amidinobenzoyl)amino]propanoylamino]-2-methyl-propionic acid Formula: C15H20N4O4 MolecularWeight: 320.3437

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Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)CCNC(=O)C1=CC=C(C=C1)C(=N)N)C(=O)O

Isomeric SMILES

CC(CNC(=O)CCNC(=O)C1=CC=C(C=C1)C(=N)N)C(=O)O

InChI

InChI=1S/C15H20N4O4/c1-9(15(22)23)8-19-12(20)6-7-18-14(21)11-4-2-10(3-5-11)13(16)17/h2-5,9H,6-8H2,1H3,(H3,16,17)(H,18,21)(H,19,20)(H,22,23)