Drug Information
Drug General Information | Top | |||
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Drug ID |
D0T6ST
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Former ID |
DNC004848
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Drug Name |
Ac-I[CV(2Nal)QDWGAHRC]T-NH2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C73H101N21O18S2
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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=CC3=CC=CC=C3C=C2)CCC(=O)N)CC(=O)O)CC4=CNC5=CC=CC=C54)C)CC6=CN=CN6)CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)N)NC(=O)C
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InChI |
1S/C73H101N21O18S2/c1-8-36(4)59(84-39(7)96)72(112)92-54-33-114-113-32-53(70(110)94-60(38(6)95)61(75)101)91-64(104)47(18-13-23-79-73(76)77)85-67(107)51(27-44-30-78-34-82-44)87-62(102)37(5)83-56(98)31-81-63(103)50(26-43-29-80-46-17-12-11-16-45(43)46)88-68(108)52(28-57(99)100)89-65(105)48(21-22-55(74)97)86-66(106)49(90-71(111)58(35(2)3)93-69(54)109)25-40-19-20-41-14-9-10-15-42(41)24-40/h9-12,14-17,19-20,24,29-30,34-38,47-54,58-60,80,95H,8,13,18,21-23,25-28,31-33H2,1-7H3,(H2,74,97)(H2,75,101)(H,78,82)(H,81,103)(H,83,98)(H,84,96)(H,85,107)(H,86,106)(H,87,102)(H,88,108)(H,89,105)(H,90,111)(H,91,104)(H,92,112)(H,93,109)(H,94,110)(H,99,100)(H4,76,77,79)/t36-,37-,38+,47-,48-,49-,50-,51+,52+,53-,54-,58-,59-,60-/m0/s1
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InChIKey |
BFGQANAKHJAOQY-UZUHPOSNSA-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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