Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
L3UX1Y
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| Ligand Name |
6-[5-[(3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-N-[(2R)-1-[[(2S)-3-cyclohexyl-1-[[(2S)-1-[[(1R)-4-(diaminomethylideneamino)-1-diphenoxyphosphorylbutyl]amino]-3-[(3S)-2,3-dihydro-1H-indol-3-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]hexanamide
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| Structure |
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Download2D MOL
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| Formula |
C62H84N11O9PS
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| Canonical SMILES |
C1CCC(CC1)CC(C(=O)NC(CC2CNC3=CC=CC=C23)C(=O)NC(CCCN=C(N)N)P(=O)(OC4=CC=CC=C4)OC5=CC=CC=C5)NC(=O)C(CC6=CC=CC=C6)NC(=O)CCCCCNC(=O)CCCCC7C8C(CS7)NC(=O)N8
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| InChI |
1S/C62H84N11O9PS/c63-61(64)66-36-20-34-56(83(80,81-45-25-10-3-11-26-45)82-46-27-12-4-13-28-46)72-60(78)51(39-44-40-67-48-30-16-15-29-47(44)48)70-59(77)50(38-43-23-8-2-9-24-43)69-58(76)49(37-42-21-6-1-7-22-42)68-55(75)33-14-5-19-35-65-54(74)32-18-17-31-53-57-52(41-84-53)71-62(79)73-57/h1,3-4,6-7,10-13,15-16,21-22,25-30,43-44,49-53,56-57,67H,2,5,8-9,14,17-20,23-24,31-41H2,(H,65,74)(H,68,75)(H,69,76)(H,70,77)(H,72,78)(H4,63,64,66)(H2,71,73,79)/t44-,49-,50+,51+,52+,53-,56-,57+/m1/s1
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| InChIKey |
LQPBNVJSYRBAJH-PCAGHOJFSA-N
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| PubChem Compound ID | ||||
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