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

Systemtic Name: 3-[3-[(4-carbamimidoylphenyl)methylamino]propanoylamino]-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[(4-carbamimidoylphenyl)methylamino]propanoylamino]-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[(4-carbamimidoylphenyl)methylamino]-1-oxopropyl]amino]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[(4-carbamimidoylphenyl)methylamino]propanoylamino]-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[3-[(4-amidinobenzyl)amino]propanoylamino]-3-(3-pyridyl)propionic acid Formula: C19H23N5O3 MolecularWeight: 369.41762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CCNCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC(=CN=C1)C(CC(=O)O)NC(=O)CCNCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C19H23N5O3/c20-19(21)14-5-3-13(4-6-14)11-23-9-7-17(25)24-16(10-18(26)27)15-2-1-8-22-12-15/h1-6,8,12,16,23H,7,9-11H2,(H3,20,21)(H,24,25)(H,26,27)