Drug Information
Drug General Information | Top | |||
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Drug ID |
D00CYF
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Former ID |
DNC004834
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Drug Name |
Ac-I[CVWQDWGWHRC]T-NH2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C79H105N23O18S2
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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=CNC7=CC=CC=C76)CC8=CN=CN8)CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)N)NC(=O)C
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InChI |
1S/C79H105N23O18S2/c1-7-39(4)65(91-41(6)104)78(120)100-60-36-122-121-35-59(76(118)102-66(40(5)103)67(81)109)99-69(111)52(21-14-24-85-79(82)83)93-73(115)57(28-45-33-84-37-90-45)96-71(113)55(26-43-31-87-50-19-12-9-16-47(43)50)92-62(106)34-89-68(110)54(25-42-30-86-49-18-11-8-15-46(42)49)95-74(116)58(29-63(107)108)97-70(112)53(22-23-61(80)105)94-72(114)56(98-77(119)64(38(2)3)101-75(60)117)27-44-32-88-51-20-13-10-17-48(44)51/h8-13,15-20,30-33,37-40,52-60,64-66,86-88,103H,7,14,21-29,34-36H2,1-6H3,(H2,80,105)(H2,81,109)(H,84,90)(H,89,110)(H,91,104)(H,92,106)(H,93,115)(H,94,114)(H,95,116)(H,96,113)(H,97,112)(H,98,119)(H,99,111)(H,100,120)(H,101,117)(H,102,118)(H,107,108)(H4,82,83,85)/t39-,40+,52-,53-,54-,55-,56+,57+,58+,59-,60-,64-,65-,66-/m0/s1
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InChIKey |
FLYCCQRIADFTOH-RHIYSSTNSA-N
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PubChem Compound ID |
References | Top | |||
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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. |
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