Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0EP8J
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| Ligand Name |
(3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid
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| Synonyms |
(3~{R})-4-[4-[[(2~{S})-2-[[2,2-bis(fluoranyl)-2-phenyl-ethanoyl]amino]-3-(2-chlorophenyl)propanoyl]amino]phenyl]-3-[[(2~{S})-3-methyl-2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethanoylamino]butanoyl]amino]butanoic acid; RMQ
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| Structure |
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Download2D MOL
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| Formula |
C41H50ClF2N5O9
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| Canonical SMILES |
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2Cl)NC(=O)C(C3=CC=CC=C3)(F)F)CC(=O)O)NC(=O)COCCNC(=O)OC(C)(C)C
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| InChI |
1S/C41H50ClF2N5O9/c1-25(2)35(49-33(50)24-57-20-19-45-39(56)58-40(3,4)5)37(54)47-30(23-34(51)52)21-26-15-17-29(18-16-26)46-36(53)32(22-27-11-9-10-14-31(27)42)48-38(55)41(43,44)28-12-7-6-8-13-28/h6-18,25,30,32,35H,19-24H2,1-5H3,(H,45,56)(H,46,53)(H,47,54)(H,48,55)(H,49,50)(H,51,52)/t30-,32+,35+/m1/s1
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| InChIKey |
WALXJMMKSMGUFF-GOCISWIWSA-N
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| PubChem Compound ID | ||||
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