Drug Information
Drug General Information | Top | |||
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Drug ID |
D05AIB
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Former ID |
DNC004829
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Drug Name |
Ac-I[CVHQDWGHHRC]T-NH2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C69H99N25O18S2
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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=CN=CN2)CCC(=O)N)CC(=O)O)CC3=CNC4=CC=CC=C43)CC5=CN=CN5)CC6=CN=CN6)CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)N)NC(=O)C
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InChI |
1S/C69H99N25O18S2/c1-7-33(4)55(83-35(6)96)68(112)92-50-28-114-113-27-49(66(110)94-56(34(5)95)57(71)101)91-59(103)42(13-10-16-77-69(72)73)85-62(106)46(19-38-24-75-30-81-38)88-61(105)45(18-37-23-74-29-80-37)84-52(98)26-79-58(102)44(17-36-22-78-41-12-9-8-11-40(36)41)87-64(108)48(21-53(99)100)89-60(104)43(14-15-51(70)97)86-63(107)47(20-39-25-76-31-82-39)90-67(111)54(32(2)3)93-65(50)109/h8-9,11-12,22-25,29-34,42-50,54-56,78,95H,7,10,13-21,26-28H2,1-6H3,(H2,70,97)(H2,71,101)(H,74,80)(H,75,81)(H,76,82)(H,79,102)(H,83,96)(H,84,98)(H,85,106)(H,86,107)(H,87,108)(H,88,105)(H,89,104)(H,90,111)(H,91,103)(H,92,112)(H,93,109)(H,94,110)(H,99,100)(H4,72,73,77)/t33-,34+,42-,43-,44-,45-,46+,47+,48+,49-,50-,54-,55-,56-/m0/s1
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InChIKey |
BOKLLRIGSLYOHT-OYMOBXHASA-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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