3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]butanoic acid

Systemtic Name: 3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]butanoic acid Openeye Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]acetyl]amino]butanoic acid CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-1-oxoethyl]amino]butanoic acid IUPAC Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]butanoic acid Traditional Name: 3-[[2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]acetyl]amino]butyric acid Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CC1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC(CC(=O)O)NC(=O)CC1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H24N4O4/c1-11(9-16(24)25)21-15(23)10-13-3-2-8-22(18(13)26)14-6-4-12(5-7-14)17(19)20/h4-7,11,13H,2-3,8-10H2,1H3,(H3,19,20)(H,21,23)(H,24,25)