Drug Information
Drug General Information | Top | |||
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Drug ID |
D0R1MR
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Former ID |
DNC004830
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Drug Name |
Ac-I[CVFQDWGHHRC]T-NH2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C72H101N23O18S2
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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=CC=CC=C2)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/C72H101N23O18S2/c1-7-36(4)58(84-38(6)97)71(113)93-53-32-115-114-31-52(69(111)95-59(37(5)96)60(74)102)92-62(104)45(18-13-21-79-72(75)76)86-66(108)50(25-42-29-78-34-83-42)89-65(107)49(24-41-28-77-33-82-41)85-55(99)30-81-61(103)48(23-40-27-80-44-17-12-11-16-43(40)44)88-67(109)51(26-56(100)101)90-63(105)46(19-20-54(73)98)87-64(106)47(22-39-14-9-8-10-15-39)91-70(112)57(35(2)3)94-68(53)110/h8-12,14-17,27-29,33-37,45-53,57-59,80,96H,7,13,18-26,30-32H2,1-6H3,(H2,73,98)(H2,74,102)(H,77,82)(H,78,83)(H,81,103)(H,84,97)(H,85,99)(H,86,108)(H,87,106)(H,88,109)(H,89,107)(H,90,105)(H,91,112)(H,92,104)(H,93,113)(H,94,110)(H,95,111)(H,100,101)(H4,75,76,79)/t36-,37+,45-,46-,47+,48-,49-,50+,51+,52-,53-,57-,58-,59-/m0/s1
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InChIKey |
RBQLSOPILCDKPP-IJVDDTIBSA-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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