3-[[1-[2-(4-carbamimidoylphenyl)ethanoyl]piperidin-3-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[1-[2-(4-carbamimidoylphenyl)ethanoyl]piperidin-3-yl]carbonylamino]propanoic acid Openeye Name: 3-[[1-[2-(4-carbamimidoylphenyl)acetyl]piperidine-3-carbonyl]amino]propanoic acid CAS Name: 3-[[[1-[2-(4-carbamimidoylphenyl)-1-oxoethyl]-3-piperidinyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[1-[2-(4-carbamimidoylphenyl)acetyl]piperidine-3-carbonyl]amino]propanoic acid Traditional Name: 3-[[1-[2-(4-amidinophenyl)acetyl]nipecotoyl]amino]propionic acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CC2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=O)CC2=CC=C(C=C2)C(=N)N)C(=O)NCCC(=O)O

InChI

InChI=1S/C18H24N4O4/c19-17(20)13-5-3-12(4-6-13)10-15(23)22-9-1-2-14(11-22)18(26)21-8-7-16(24)25/h3-6,14H,1-2,7-11H2,(H3,19,20)(H,21,26)(H,24,25)