Catalog Number:
AG00ABPK
Chemical Name:
ATP-polyamine-biotin
CAS Number:
1800401-93-7
Molecular Formula:
C32H58N11O14P3S
Molecular Weight:
945.8545
MDL Number:
MFCD29924712
IUPAC Name:
N-[3-[4-[3-[6-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]hexanoylamino]propyl-methylamino]butyl-methylamino]propyl]-[[[(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxyphosphonamidic acid
InChI:
InChI=1S/C33H60N11O14P3S/c1-42(16-8-12-35-25(45)11-5-3-4-10-24-26-22(19-62-24)40-33(48)41-26)14-6-7-15-43(2)17-9-13-39-59(49,50)57-61(53,54)58-60(51,52)55-18-23-28(46)29(47)32(56-23)44-21-38-27-30(34)36-20-37-31(27)44/h20-24,26,28-29,32,46-47H,3-19H2,1-2H3,(H,35,45)(H,51,52)(H,53,54)(H2,34,36,37)(H2,39,49,50)(H2,40,41,48)/t22-,23-,24-,26-,28+,29+,32+/m0/s1
InChI Key:
FZWPWSHRWBBJDA-RFZWWLPUSA-N
SMILES:
CN(CCCNP(=O)(OP(=O)(OP(=O)(OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)O)O)O)CCCCN(CCCNC(=O)CCCC[C@@H]1SC[C@H]2[C@@H]1NC(=O)N2)C
