3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(6-phenylhexyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(6-phenylhexyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-4-oxo-1-[4-(6-phenylhexyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-oxo-1-[oxo-[4-(6-phenylhexyl)-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxo-1-[4-(6-phenylhexyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-4-keto-1-[4-(6-phenylhexyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C28H42N6O4 MolecularWeight: 526.67088

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)CCCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)CCCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H42N6O4/c29-27(30)33-14-8-12-22(20-33)19-23-24(26(36)37)34(25(23)35)28(38)32-17-15-31(16-18-32)13-7-2-1-4-9-21-10-5-3-6-11-21/h3,5-6,10-11,22-24H,1-2,4,7-9,12-20H2,(H3,29,30)(H,36,37)