Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LK0TI1
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| Ligand Name |
(3r,3as,4r,6ar)-4-[2-(Methylamino)-2-Oxoethoxy]hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-3-Hydroxy-4-[{[(2z)-2-(Methylimino)-2,3-Dihydro-1,3-Benzoxazol-6-Yl]sulfonyl}(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamate
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| Synonyms |
(3r,3as,4r,6ar)-4-[2-(Methylamino)-2-Oxoethoxy]hexahydrofuro[2,3-B]furan-3-Yl {(2s,3r)-3-Hydroxy-4-[{[(2z)-2-(Methylimino)-2,3-Dihydro-1,3-Benzoxazol-6-Yl]sulfonyl}(2-Methylpropyl)amino]-1-Phenylbutan-2-Yl}carbamate; CHEMBL3426611; Q27461645; J5L
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| Structure |
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Download2D MOL
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| Formula |
C32H43N5O10S
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| Canonical SMILES |
CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2C(CO3)OCC(=O)NC)O)S(=O)(=O)C4=CC5=C(C=C4)N=C(O5)NC
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| InChI |
1S/C32H43N5O10S/c1-19(2)14-37(48(41,42)21-10-11-22-25(13-21)46-31(34-4)35-22)15-24(38)23(12-20-8-6-5-7-9-20)36-32(40)47-27-17-45-30-29(27)26(16-44-30)43-18-28(39)33-3/h5-11,13,19,23-24,26-27,29-30,38H,12,14-18H2,1-4H3,(H,33,39)(H,34,35)(H,36,40)/t23-,24+,26-,27-,29-,30+/m0/s1
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| InChIKey |
QSRBYIILHLAKAT-VYOLJQCBSA-N
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| PubChem Compound ID | ||||
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