5-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]pent-4-ynoic acid

Systemtic Name: 5-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]pent-4-ynoic acid Openeye Name: 5-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]acetyl]amino]pent-4-ynoic acid CAS Name: 5-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-1-oxoethyl]amino]-4-pentynoic acid IUPAC Name: 5-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]pent-4-ynoic acid Traditional Name: 5-[[2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]acetyl]amino]pent-4-ynoic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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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)NC#CCCC(=O)O

Isomeric SMILES

C1CC(C(=O)N(C1)C2=CC=C(C=C2)C(=N)N)CC(=O)NC#CCCC(=O)O

InChI

InChI=1S/C19H22N4O4/c20-18(21)13-6-8-15(9-7-13)23-11-3-4-14(19(23)27)12-16(24)22-10-2-1-5-17(25)26/h6-9,14H,1,3-5,11-12H2,(H3,20,21)(H,22,24)(H,25,26)