trisodium [4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoyl]oxycarbonylamino]-1-oxidanyl-1-phosphonato-butyl]-oxidanyl-phosphinate

Systemtic Name: trisodium [4-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-propanoyl]oxycarbonylamino]-1-oxidanyl-1-phosphonato-butyl]-oxidanyl-phosphinate Openeye Name: trisodium [4-[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoyl]oxycarbonylamino]-1-hydroxy-1-phosphonato-butyl]-hydroxy-phosphinate CAS Name: trisodium hydroxy-[1-hydroxy-4-[[[(2S)-3-hydroxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]-oxomethyl]amino]-1-phosphonatobutyl]phosphinate IUPAC Name: trisodium hydroxy-[1-hydroxy-4-[[(2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxycarbonylamino]-1-phosphonatobutyl]phosphinate Traditional Name: trisodium [4-[[(2S)-2-(tert-butoxycarbonylamino)-3-hydroxy-propanoyl]oxycarbonylamino]-1-hydroxy-1-phosphonato-butyl]-hydroxy-phosphinate Formula: C13H23N2Na3O13P2 MolecularWeight: 546.244152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CO)C(=O)OC(=O)NCCCC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CO)C(=O)OC(=O)NCCCC(O)(P(=O)(O)[O-])P(=O)([O-])[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C13H26N2O13P2.3Na/c1-12(2,3)28-11(19)15-8(7-16)9(17)27-10(18)14-6-4-5-13(20,29(21,22)23)30(24,25)26;;;/h8,16,20H,4-7H2,1-3H3,(H,14,18)(H,15,19)(H2,21,22,23)(H2,24,25,26);;;/q;3*+1/p-3/t8-;;;/m0.../s1