tetrapotassium [4-[[(4R,5S,6S,7R)-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-[[4-(phosphonatooxymethyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]phenyl]methyl phosphate

Systemtic Name: tetrapotassium [4-[[(4R,5S,6S,7R)-5,6-bis(oxidanyl)-2-oxidanylidene-4,7-bis(phenylmethyl)-3-[[4-(phosphonatooxymethyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]phenyl]methyl phosphate Openeye Name: tetrapotassium [4-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[4-(phosphonatooxymethyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]phenyl]methyl phosphate CAS Name: tetrapotassium [4-[[(4R,5S,6S,7R)-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-3-[[4-(phosphonatooxymethyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]phenyl]methyl phosphate IUPAC Name: tetrapotassium [4-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-oxo-3-[[4-(phosphonatooxymethyl)phenyl]methyl]-1,3-diazepan-1-yl]methyl]phenyl]methyl phosphate Traditional Name: tetrapotassium [4-[[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-2-keto-3-[4-(phosphatomethyl)benzyl]-1,3-diazepan-1-yl]methyl]benzyl] phosphate Formula: C35H36K4N2O11P2 MolecularWeight: 879.007862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2C(C(C(N(C(=O)N2CC3=CC=C(C=C3)COP(=O)([O-])[O-])CC4=CC=C(C=C4)COP(=O)([O-])[O-])CC5=CC=CC=C5)O)O.[K+].[K+].[K+].[K+]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC=C(C=C3)COP(=O)([O-])[O-])CC4=CC=C(C=C4)COP(=O)([O-])[O-])CC5=CC=CC=C5)O)O.[K+].[K+].[K+].[K+]

InChI

InChI=1S/C35H40N2O11P2.4K/c38-33-31(19-25-7-3-1-4-8-25)36(21-27-11-15-29(16-12-27)23-47-49(41,42)43)35(40)37(32(34(33)39)20-26-9-5-2-6-10-26)22-28-13-17-30(18-14-28)24-48-50(44,45)46;;;;/h1-18,31-34,38-39H,19-24H2,(H2,41,42,43)(H2,44,45,46);;;;/q;4*+1/p-4/t31-,32-,33+,34+;;;;/m1..../s1