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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(CC#CN)(C1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

Isomeric SMILES

CC(=O)C(CC#CN)(C1CCCN(C1=O)C2=CC=C(C=C2)C(=N)N)C(=O)O

InChI

InChI=1S/C19H22N4O4/c1-12(24)19(18(26)27,9-3-10-20)15-4-2-11-23(17(15)25)14-7-5-13(6-8-14)16(21)22/h5-8,15H,2,4,9,11,20H2,1H3,(H3,21,22)(H,26,27)