Drug Information
Drug General Information | Top | |||
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Drug ID |
D0V0RO
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Former ID |
DNC004831
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Drug Name |
Ac-I[CVYQDWGAHRC]T-NH2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
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Formula |
C69H99N21O19S2
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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=C(C=C2)O)CCC(=O)N)CC(=O)O)CC3=CNC4=CC=CC=C43)C)CC5=CNC=N5)CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)N)NC(=O)C
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InChI |
1S/C69H99N21O19S2/c1-8-33(4)55(80-36(7)92)68(109)88-50-30-111-110-29-49(66(107)90-56(35(6)91)57(71)98)87-60(101)43(14-11-21-75-69(72)73)81-63(104)47(24-39-27-74-31-78-39)83-58(99)34(5)79-52(95)28-77-59(100)46(23-38-26-76-42-13-10-9-12-41(38)42)84-64(105)48(25-53(96)97)85-61(102)44(19-20-51(70)94)82-62(103)45(22-37-15-17-40(93)18-16-37)86-67(108)54(32(2)3)89-65(50)106/h9-10,12-13,15-18,26-27,31-35,43-50,54-56,76,91,93H,8,11,14,19-25,28-30H2,1-7H3,(H2,70,94)(H2,71,98)(H,74,78)(H,77,100)(H,79,95)(H,80,92)(H,81,104)(H,82,103)(H,83,99)(H,84,105)(H,85,102)(H,86,108)(H,87,101)(H,88,109)(H,89,106)(H,90,107)(H,96,97)(H4,72,73,75)/t33-,34-,35+,43-,44-,45+,46-,47+,48+,49-,50-,54-,55-,56-/m0/s1
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InChIKey |
PQVLDHFPSLWLQN-VEMXNSRSSA-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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