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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)carbamoylamino]propanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[(4-carbamimidoylphenyl)carbamoylamino]propanoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[(4-carbamimidoylanilino)-oxomethyl]amino]-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylphenyl)carbamoylamino]propanoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[3-[(4-amidinophenyl)carbamoylamino]propanoylamino]-3-(3-pyridyl)propionic acid Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O4/c20-18(21)12-3-5-14(6-4-12)24-19(29)23-9-7-16(26)25-15(10-17(27)28)13-2-1-8-22-11-13/h1-6,8,11,15H,7,9-10H2,(H3,20,21)(H,25,26)(H,27,28)(H2,23,24,29)