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

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(4-phenethylpiperazin-1-yl)carbonylpiperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-4-oxo-1-[4-(4-phenethylpiperazine-1-carbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-oxo-1-[oxo-[4-[oxo-(4-phenethyl-1-piperazinyl)methyl]-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxo-1-[4-(4-phenethylpiperazine-1-carbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-4-keto-1-[4-(4-phenethylpiperazine-1-carbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C29H42N8O5 MolecularWeight: 582.69438

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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)N4CCN(CC4)CCC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)N4CCN(CC4)CCC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C29H42N8O5/c30-27(31)36-9-4-7-22(20-36)19-23-24(26(39)40)37(25(23)38)29(42)35-17-15-34(16-18-35)28(41)33-13-11-32(12-14-33)10-8-21-5-2-1-3-6-21/h1-3,5-6,22-24H,4,7-20H2,(H3,30,31)(H,39,40)