3-[(4-carbamimidoylphenyl)carbamoylamino]-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[(4-carbamimidoylphenyl)carbamoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[(4-carbamimidoylphenyl)carbamoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[(4-carbamimidoylanilino)-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[(4-carbamimidoylphenyl)carbamoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[(4-amidinophenyl)carbamoylamino]-3-(3-pyridyl)propionic acid Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N5O3/c17-15(18)10-3-5-12(6-4-10)20-16(24)21-13(8-14(22)23)11-2-1-7-19-9-11/h1-7,9,13H,8H2,(H3,17,18)(H,22,23)(H2,20,21,24)