1-carbamimidoyl-4-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-piperidine-4-carboxylic acid

Systemtic Name: 1-carbamimidoyl-4-[[2-methyl-1-(3-phenylpropanoylamino)propyl]-oxidanyl-phosphoryl]oxy-piperidine-4-carboxylic acid Openeye Name: 1-carbamimidoyl-4-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxy-piperidine-4-carboxylic acid CAS Name: 1-carbamimidoyl-4-[hydroxy-[2-methyl-1-[(1-oxo-3-phenylpropyl)amino]propyl]phosphoryl]oxy-4-piperidinecarboxylic acid IUPAC Name: 1-carbamimidoyl-4-[hydroxy-[2-methyl-1-(3-phenylpropanoylamino)propyl]phosphoryl]oxypiperidine-4-carboxylic acid Traditional Name: 1-amidino-4-[[1-(hydrocinnamoylamino)-2-methyl-propyl]-hydroxy-phosphoryl]oxy-isonipecotic acid Formula: C20H31N4O6P MolecularWeight: 454.457101

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC2(CCN(CC2)C(=N)N)C(=O)O

Isomeric SMILES

CC(C)C(NC(=O)CCC1=CC=CC=C1)P(=O)(O)OC2(CCN(CC2)C(=N)N)C(=O)O

InChI

InChI=1S/C20H31N4O6P/c1-14(2)17(23-16(25)9-8-15-6-4-3-5-7-15)31(28,29)30-20(18(26)27)10-12-24(13-11-20)19(21)22/h3-7,14,17H,8-13H2,1-2H3,(H3,21,22)(H,23,25)(H,26,27)(H,28,29)