Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D0O2BI
|
|||
Former ID |
DNC004835
|
|||
Drug Name |
Ac-I[CVWQDWGHHRC]T-NH2
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
|
|||
Formula |
C74H102N24O18S2
|
|||
Canonical SMILES |
CCC(C)C(C(=O)NC1CSSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)C(C)C)CC2=CNC3=CC=CC=C32)CCC(=O)N)CC(=O)O)CC4=CNC5=CC=CC=C54)CC6=CN=CN6)CC7=CN=CN7)CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)N)NC(=O)C
|
|||
InChI |
1S/C74H102N24O18S2/c1-7-36(4)60(87-38(6)100)73(116)96-55-32-118-117-31-54(71(114)98-61(37(5)99)62(76)105)95-64(107)47(17-12-20-81-74(77)78)89-68(111)52(24-42-29-80-34-86-42)92-67(110)51(23-41-28-79-33-85-41)88-57(102)30-84-63(106)49(21-39-26-82-45-15-10-8-13-43(39)45)91-69(112)53(25-58(103)104)93-65(108)48(18-19-56(75)101)90-66(109)50(94-72(115)59(35(2)3)97-70(55)113)22-40-27-83-46-16-11-9-14-44(40)46/h8-11,13-16,26-29,33-37,47-55,59-61,82-83,99H,7,12,17-25,30-32H2,1-6H3,(H2,75,101)(H2,76,105)(H,79,85)(H,80,86)(H,84,106)(H,87,100)(H,88,102)(H,89,111)(H,90,109)(H,91,112)(H,92,110)(H,93,108)(H,94,115)(H,95,107)(H,96,116)(H,97,113)(H,98,114)(H,103,104)(H4,77,78,81)/t36-,37+,47-,48-,49-,50+,51-,52+,53+,54-,55-,59-,60-,61-/m0/s1
|
|||
InChIKey |
WCPUCPVVFQIWRA-BEXWAHHISA-N
|
|||
PubChem Compound ID |
References | Top | |||
---|---|---|---|---|
REF 1 | Design and NMR characterization of active analogues of compstatin containing non-natural amino acids. J Med Chem. 2005 Jan 13;48(1):274-86. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.