3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-6,6-dimethyl-hept-4-ynoic acid

Systemtic Name: 3-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]ethanoylamino]-6,6-dimethyl-hept-4-ynoic acid Openeye Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]acetyl]amino]-6,6-dimethyl-hept-4-ynoic acid CAS Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-1-oxoethyl]amino]-6,6-dimethyl-4-heptynoic acid IUPAC Name: 3-[[2-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]acetyl]amino]-6,6-dimethylhept-4-ynoic acid Traditional Name: 3-[[2-[1-(4-amidinophenyl)-2-keto-3-piperidyl]acetyl]amino]-6,6-dimethyl-hept-4-ynoic acid Formula: C23H30N4O4 MolecularWeight: 426.5087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-23(2,3)11-10-17(14-20(29)30)26-19(28)13-16-5-4-12-27(22(16)31)18-8-6-15(7-9-18)21(24)25/h6-9,16-17H,4-5,12-14H2,1-3H3,(H3,24,25)(H,26,28)(H,29,30)