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

Systemtic Name: 2-azanyl-3-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-piperidin-3-yl]-2-ethanoyl-5-phenyl-pent-4-ynoic acid Openeye Name: 2-acetyl-2-amino-3-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidyl]-5-phenyl-pent-4-ynoic acid CAS Name: 2-acetyl-2-amino-3-[1-(4-carbamimidoylphenyl)-2-oxo-3-piperidinyl]-5-phenyl-4-pentynoic acid IUPAC Name: 2-acetyl-2-amino-3-[1-(4-carbamimidoylphenyl)-2-oxopiperidin-3-yl]-5-phenylpent-4-ynoic acid Traditional Name: 2-acetyl-3-[1-(4-amidinophenyl)-2-keto-3-piperidyl]-2-amino-5-phenyl-pent-4-ynoic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(C#CC1=CC=CC=C1)C2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N)(C(=O)O)N

Isomeric SMILES

CC(=O)C(C(C#CC1=CC=CC=C1)C2CCCN(C2=O)C3=CC=C(C=C3)C(=N)N)(C(=O)O)N

InChI

InChI=1S/C25H26N4O4/c1-16(30)25(28,24(32)33)21(14-9-17-6-3-2-4-7-17)20-8-5-15-29(23(20)31)19-12-10-18(11-13-19)22(26)27/h2-4,6-7,10-13,20-21H,5,8,15,28H2,1H3,(H3,26,27)(H,32,33)