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

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(4-phenylbutoxycarbonyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-4-oxo-1-[4-(4-phenylbutoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-oxo-1-[oxo-[4-[oxo(4-phenylbutoxy)methyl]-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxo-1-[4-(4-phenylbutoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-4-keto-1-[4-(4-phenylbutoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C27H38N6O6 MolecularWeight: 542.62722

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)OCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)OCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H38N6O6/c28-25(29)32-11-6-10-20(18-32)17-21-22(24(35)36)33(23(21)34)26(37)30-12-14-31(15-13-30)27(38)39-16-5-4-9-19-7-2-1-3-8-19/h1-3,7-8,20-22H,4-6,9-18H2,(H3,28,29)(H,35,36)