Drug Information
Drug General Information | Top | |||
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Drug ID |
D0Q0HE
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Former ID |
DNC004827
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Drug Name |
Ac-I[CVTQDWGHHRC]T-NH2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C67H99N23O19S2
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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(C)O)CCC(=O)N)CC(=O)O)CC2=CNC3=CC=CC=C32)CC4=CN=CN4)CC5=CN=CN5)CCCNC(=N)N)C(=O)NC(C(C)O)C(=O)N)NC(=O)C
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InChI |
1S/C67H99N23O19S2/c1-8-31(4)52(79-34(7)93)65(108)87-47-27-111-110-26-46(63(106)89-53(32(5)91)55(69)98)86-57(100)40(14-11-17-74-67(70)71)81-60(103)44(20-37-24-73-29-78-37)84-59(102)43(19-36-23-72-28-77-36)80-49(95)25-76-56(99)42(18-35-22-75-39-13-10-9-12-38(35)39)83-61(104)45(21-50(96)97)85-58(101)41(15-16-48(68)94)82-66(109)54(33(6)92)90-64(107)51(30(2)3)88-62(47)105/h9-10,12-13,22-24,28-33,40-47,51-54,75,91-92H,8,11,14-21,25-27H2,1-7H3,(H2,68,94)(H2,69,98)(H,72,77)(H,73,78)(H,76,99)(H,79,93)(H,80,95)(H,81,103)(H,82,109)(H,83,104)(H,84,102)(H,85,101)(H,86,100)(H,87,108)(H,88,105)(H,89,106)(H,90,107)(H,96,97)(H4,70,71,74)/t31-,32+,33+,40-,41-,42-,43-,44+,45+,46-,47-,51-,52-,53-,54+/m0/s1
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InChIKey |
VOXWWAJOYBYONB-RTTZVKIOSA-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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