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

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

C1CC(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)CC(=O)NCCCC(=O)O

Isomeric SMILES

C1CC(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)CC(=O)NCCCC(=O)O

InChI

InChI=1S/C18H24N4O4/c19-17(20)12-5-7-14(8-6-12)22-10-2-3-13(18(22)26)11-15(23)21-9-1-4-16(24)25/h5-8,13H,1-4,9-11H2,(H3,19,20)(H,21,23)(H,24,25)