3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(5-phenylpentyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(5-phenylpentyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-4-oxo-1-[4-(5-phenylpentyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-oxo-1-[oxo-[4-(5-phenylpentyl)-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxo-1-[4-(5-phenylpentyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-4-keto-1-[4-(5-phenylpentyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C27H40N6O4 MolecularWeight: 512.6443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)CCCCCC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)CCCCCC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H40N6O4/c28-26(29)32-13-7-11-21(19-32)18-22-23(25(35)36)33(24(22)34)27(37)31-16-14-30(15-17-31)12-6-2-5-10-20-8-3-1-4-9-20/h1,3-4,8-9,21-23H,2,5-7,10-19H2,(H3,28,29)(H,35,36)