BA2
5'-DEOXY-5'-(ETHYLAMINO)-8-{[4-({5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOYL}AMINO)BUTYL]AMINO}ADENOSINE
Find entries where: BA2
is present as a standalone ligand in 1 entries
Chemical Component Summary | |
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Name | 5'-DEOXY-5'-(ETHYLAMINO)-8-{[4-({5-[(3AS,4S,6AR)-2-OXOHEXAHYDRO-1H-THIENO[3,4-D]IMIDAZOL-4-YL]PENTANOYL}AMINO)BUTYL]AMINO}ADENOSINE |
Identifiers | 5-[(3aR,6S,6aS)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[4,3-d]imidazol-6-yl]-N-[4-[[6-amino-9-[(2R,3R,4S,5R)-5-(ethylaminomethyl)-3,4-dihydroxy-oxolan-2-yl]purin-8-yl]amino]butyl]pentanamide |
Formula | C26 H42 N10 O5 S |
Molecular Weight | 606.741 |
Type | NON-POLYMER |
Isomeric SMILES | CCNC[C@@H]1[C@H]([C@H]([C@@H](O1)n2c3c(c(ncn3)N)nc2NCCCCNC(=O)CCCC[C@H]4[C@@H]5[C@H](CS4)NC(=O)N5)O)O |
InChI | InChI=1S/C26H42N10O5S/c1-2-28-11-15-20(38)21(39)24(41-15)36-23-19(22(27)31-13-32-23)34-25(36)30-10-6-5-9-29-17(37)8-4-3-7-16-18-14(12-42-16)33-26(40)35-18/h13-16,18,20-21,24,28,38-39H,2-12H2,1H3,(H,29,37)(H,30,34)(H2,27,31,32)(H2,33,35,40)/t14-,15+,16-,18-,20+,21+,24+/m0/s1 |
InChIKey | GZOCMSGHLSHCGU-DGWADGOTSA-N |
Chemical Details | |
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Formal Charge | 0 |
Atom Count | 84 |
Chiral Atom Count | 7 |
Bond Count | 88 |
Aromatic Bond Count | 10 |
Related Resource References
Resource Name | Reference |
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PubChem | 49866680 |