Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LJBI63
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| Ligand Name |
(1R,2S,5S)-N-[(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-2-(methanesulfonamido)-3-methylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C28H39N5O6S2
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| Canonical SMILES |
CC(C)C(C(=O)N1CC2C(C1C(=O)NC(CC3CCNC3=O)C(C4=NC5=CC=CC=C5S4)O)C2(C)C)NS(=O)(=O)C
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| InChI |
1S/C28H39N5O6S2/c1-14(2)21(32-41(5,38)39)27(37)33-13-16-20(28(16,3)4)22(33)25(36)30-18(12-15-10-11-29-24(15)35)23(34)26-31-17-8-6-7-9-19(17)40-26/h6-9,14-16,18,20-23,32,34H,10-13H2,1-5H3,(H,29,35)(H,30,36)/t15-,16-,18-,20-,21-,22-,23-/m0/s1
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| InChIKey |
FSCAOQMZHZLHRY-DECHFVIOSA-N
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| PubChem Compound ID | ||||
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