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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H30N4O4/c1-14(28)23(26,21(30)31)18(11-12-22(2,3)4)17-6-5-13-27(20(17)29)16-9-7-15(8-10-16)19(24)25/h7-10,17-18H,5-6,13,26H2,1-4H3,(H3,24,25)(H,30,31)