Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L0X5MA
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| Ligand Name |
5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid
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| Synonyms |
5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid
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| Structure |
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Download2D MOL
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| Formula |
C42H45F2N5O12S
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| Canonical SMILES |
CC(C)C(C(=O)NC1=CC(=CC(=C1)C(=O)O)C(=O)O)NC(=O)CC(C(COC2=CC(=CC(=C2)F)F)NC(=O)C3=CC(=CC(=C3)C(=O)NC(C)C4=CC=CC=C4)N(C)S(=O)(=O)C)O
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| InChI |
1S/C42H45F2N5O12S/c1-22(2)37(40(54)46-31-13-27(41(55)56)12-28(14-31)42(57)58)48-36(51)20-35(50)34(21-61-33-18-29(43)17-30(44)19-33)47-39(53)26-11-25(15-32(16-26)49(4)62(5,59)60)38(52)45-23(3)24-9-7-6-8-10-24/h6-19,22-23,34-35,37,50H,20-21H2,1-5H3,(H,45,52)(H,46,54)(H,47,53)(H,48,51)(H,55,56)(H,57,58)/t23-,34+,35-,37+/m1/s1
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| InChIKey |
XYKCBRCSBVZGIL-WRXYKUNKSA-N
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| PubChem Compound ID | ||||
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