Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3YPS0
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| Ligand Name |
(3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid
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| Synonyms |
(3S)-3-({[(5S)-2-{2-[(1H-benzimidazol-5-ylcarbonyl)amino]ethyl}-7-(cyclohexylmethyl)-1,3-dioxo-2,3,5,8-tetrahydro-1H-[1,2,4]triazolo[1,2-a]pyridazin-5-yl]carbonyl}amino)-4-oxopentanoic acid; Q27458272
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| Structure |
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Download2D MOL |
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| Formula |
C29H35N7O7
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| Canonical SMILES |
CC(=O)C(CC(=O)O)NC(=O)C1C=C(CN2N1C(=O)N(C2=O)CCNC(=O)C3=CC4=C(C=C3)N=CN4)CC5CCCCC5
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| InChI |
1S/C29H35N7O7/c1-17(37)22(14-25(38)39)33-27(41)24-12-19(11-18-5-3-2-4-6-18)15-35-28(42)34(29(43)36(24)35)10-9-30-26(40)20-7-8-21-23(13-20)32-16-31-21/h7-8,12-13,16,18,22,24H,2-6,9-11,14-15H2,1H3,(H,30,40)(H,31,32)(H,33,41)(H,38,39)/t22-,24-/m0/s1
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| InChIKey |
CSBIJWXSABAIKK-UPVQGACJSA-N
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| PubChem Compound ID | ||||
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