3-[[1-(4-carbamimidoylphenyl)carbonylpiperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-(4-carbamimidoylphenyl)carbonylpiperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-(4-carbamimidoylbenzoyl)piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[(4-carbamimidoylphenyl)-oxomethyl]-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-(4-carbamimidoylbenzoyl)piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-(4-amidinobenzoyl)nipecotoyl]amino]propionic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)C2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)O

InChI

InChI=1S/C17H22N4O4/c18-15(19)11-3-5-12(6-4-11)17(25)21-9-1-2-13(10-21)16(24)20-8-7-14(22)23/h3-6,13H,1-2,7-10H2,(H3,18,19)(H,20,24)(H,22,23)