Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0RC8H
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| Former ID |
DNC014690
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| Drug Name |
AdoC(beta-Ala)2AlaArg6
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| Synonyms |
CHEMBL610875
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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 |
C55H98N32O14
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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)CCNC(=O)CCNC(=O)C1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)O
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| InChI |
1S/C55H98N32O14/c1-26(80-34(89)15-22-69-33(88)14-23-70-47(98)38-36(90)37(91)48(101-38)87-25-79-35-39(56)77-24-78-40(35)87)41(92)81-27(8-2-16-71-50(57)58)42(93)82-28(9-3-17-72-51(59)60)43(94)83-29(10-4-18-73-52(61)62)44(95)84-30(11-5-19-74-53(63)64)45(96)85-31(12-6-20-75-54(65)66)46(97)86-32(49(99)100)13-7-21-76-55(67)68/h24-32,36-38,48,90-91H,2-23H2,1H3,(H,69,88)(H,70,98)(H,80,89)(H,81,92)(H,82,93)(H,83,94)(H,84,95)(H,85,96)(H,86,97)(H,99,100)(H2,56,77,78)(H4,57,58,71)(H4,59,60,72)(H4,61,62,73)(H4,63,64,74)(H4,65,66,75)(H4,67,68,76)/t26-,27-,28-,29-,30-,31-,32-,36+,37-,38+,48?/m1/s1
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| InChIKey |
QDXYEHKCQQMPGT-LSDLINHMSA-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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