Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0KZ2I
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| Former ID |
DNC014686
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| Drug Name |
AdoC(betaAsp)2AlaArg6
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| Synonyms |
CHEMBL611127
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C57H98N32O18
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| Canonical SMILES |
CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)O)NC(=O)C(CNC(=O)C(CNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O)C(=O)O)C(=O)O
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| InChI |
1S/C57H98N32O18/c1-24(82-41(94)26(50(103)104)21-77-40(93)25(49(101)102)20-78-47(100)36-34(90)35(91)48(107-36)89-23-81-33-37(58)79-22-80-38(33)89)39(92)83-27(8-2-14-71-52(59)60)42(95)84-28(9-3-15-72-53(61)62)43(96)85-29(10-4-16-73-54(63)64)44(97)86-30(11-5-17-74-55(65)66)45(98)87-31(12-6-18-75-56(67)68)46(99)88-32(51(105)106)13-7-19-76-57(69)70/h22-32,34-36,48,90-91H,2-21H2,1H3,(H,77,93)(H,78,100)(H,82,94)(H,83,92)(H,84,95)(H,85,96)(H,86,97)(H,87,98)(H,88,99)(H,101,102)(H,103,104)(H,105,106)(H2,58,79,80)(H4,59,60,71)(H4,61,62,72)(H4,63,64,73)(H4,65,66,74)(H4,67,68,75)(H4,69,70,76)/t24-,25?,26?,27-,28-,29-,30-,31-,32-,34+,35-,36+,48?/m1/s1
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| InChIKey |
RAUBYAYMEJMYTN-VDLZJJBUSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Adenosine-5'-carboxylic acid peptidyl derivatives as inhibitors of protein kinases. Bioorg Med Chem Lett. 1999 May 17;9(10):1447-52. | |||
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