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

Systemtic Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxidanylidene-1-[4-(2-phenoxyethoxycarbonyl)piperazin-1-yl]carbonyl-azetidine-2-carboxylic acid Openeye Name: 3-[(1-carbamimidoyl-3-piperidyl)methyl]-4-oxo-1-[4-(2-phenoxyethoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid CAS Name: 3-[(1-carbamimidoyl-3-piperidinyl)methyl]-4-oxo-1-[oxo-[4-[oxo(2-phenoxyethoxy)methyl]-1-piperazinyl]methyl]-2-azetidinecarboxylic acid IUPAC Name: 3-[(1-carbamimidoylpiperidin-3-yl)methyl]-4-oxo-1-[4-(2-phenoxyethoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Traditional Name: 3-[(1-amidino-3-piperidyl)methyl]-4-keto-1-[4-(2-phenoxyethoxycarbonyl)piperazine-1-carbonyl]azetidine-2-carboxylic acid Formula: C25H34N6O7 MolecularWeight: 530.57346

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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)OCCOC4=CC=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CC2C(N(C2=O)C(=O)N3CCN(CC3)C(=O)OCCOC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C25H34N6O7/c26-23(27)30-8-4-5-17(16-30)15-19-20(22(33)34)31(21(19)32)24(35)28-9-11-29(12-10-28)25(36)38-14-13-37-18-6-2-1-3-7-18/h1-3,6-7,17,19-20H,4-5,8-16H2,(H3,26,27)(H,33,34)