Drug Information
Drug General Information | Top | |||
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Drug ID |
D01ZRJ
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Former ID |
DNC004843
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Drug Name |
Ac-I[CV(Bta)QDWGAHRC]T-NH2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C71H99N21O18S3
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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)(C)C2=CSC3=CC=CC=C32)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/C71H99N21O18S3/c1-9-34(4)56(82-37(7)94)67(108)88-50-31-113-112-30-49(66(107)91-57(36(6)93)58(73)99)87-61(102)44(18-14-22-77-70(74)75)83-63(104)47(24-39-27-76-32-80-39)84-59(100)35(5)81-53(96)28-79-60(101)46(23-38-26-78-43-17-12-10-15-40(38)43)85-64(105)48(25-54(97)98)86-62(103)45(20-21-52(72)95)89-69(110)71(8,42-29-111-51-19-13-11-16-41(42)51)92-68(109)55(33(2)3)90-65(50)106/h10-13,15-17,19,26-27,29,32-36,44-50,55-57,78,93H,9,14,18,20-25,28,30-31H2,1-8H3,(H2,72,95)(H2,73,99)(H,76,80)(H,79,101)(H,81,96)(H,82,94)(H,83,104)(H,84,100)(H,85,105)(H,86,103)(H,87,102)(H,88,108)(H,89,110)(H,90,106)(H,91,107)(H,92,109)(H,97,98)(H4,74,75,77)/t34-,35-,36+,44-,45-,46-,47+,48+,49-,50-,55-,56-,57-,71-/m0/s1
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InChIKey |
OCTUQYZUSWCCJV-NWJDZPOUSA-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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