[4-[methyl(phenylmethoxycarbonyl)amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[methyl(phenylmethoxycarbonyl)amino]-1-oxidanyl-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[benzyloxycarbonyl(methyl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid CAS Name: [1-hydroxy-4-[methyl(phenylmethoxycarbonyl)amino]-1-phosphonobutyl]phosphonic acid IUPAC Name: [1-hydroxy-4-[methyl(phenylmethoxycarbonyl)amino]-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[carbobenzoxy(methyl)amino]-1-hydroxy-1-phosphono-butyl]phosphonic acid Formula: C13H21NO9P2 MolecularWeight: 397.254662

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CN(CCCC(O)(P(=O)(O)O)P(=O)(O)O)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H21NO9P2/c1-14(12(15)23-10-11-6-3-2-4-7-11)9-5-8-13(16,24(17,18)19)25(20,21)22/h2-4,6-7,16H,5,8-10H2,1H3,(H2,17,18,19)(H2,20,21,22)