Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJB8X4
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| Ligand Name |
(1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide
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| Synonyms |
(1R,2S,5S)-3-{(2S)-2-(2,3-dihydro-1H-inden-2-yl)-2-[({(1S)-2,2-dimethyl-1-[(2-oxopiperidin-1-yl)methyl]propyl}carbamoyl)amino]acetyl}-6,6-dimethyl-N-{(1S)-1-[oxo(prop-2-en-1-ylamino)acetyl]butyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide; SCHEMBL14597317; Q27462949
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| Structure |
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Download2D MOL
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| Formula |
C40H58N6O6
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| Canonical SMILES |
CCCC(C(=O)C(=O)NCC=C)NC(=O)C1C2C(C2(C)C)CN1C(=O)C(C3CC4=CC=CC=C4C3)NC(=O)NC(CN5CCCCC5=O)C(C)(C)C
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| InChI |
1S/C40H58N6O6/c1-8-14-28(34(48)36(50)41-18-9-2)42-35(49)33-31-27(40(31,6)7)22-46(33)37(51)32(26-20-24-15-10-11-16-25(24)21-26)44-38(52)43-29(39(3,4)5)23-45-19-13-12-17-30(45)47/h9-11,15-16,26-29,31-33H,2,8,12-14,17-23H2,1,3-7H3,(H,41,50)(H,42,49)(H2,43,44,52)/t27-,28-,29+,31-,32-,33-/m0/s1
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| InChIKey |
CRMSMBCBPAEBQR-MUIHSLIFSA-N
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| PubChem Compound ID | ||||
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