Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L24KTB
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| Ligand Name |
N-[4-(1-Benzylcarbamoyl-2-methyl-propylcarbamoyl)-1-(3,5-difluoro-phenoxymethyl)-2-hydroxy-4-methoxy-butyl]-5-(methanesulfonyl-methyl-amino)-N'-(1-phenylethyl)-isophthalamide
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| Synonyms |
CHEMBL573106; 3ixj; BDBM50300187; Q27455546; ULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE; N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N''-(1-PHENYLETHYL)-ISOPHTHALAMIDE; N-[4-(1-BENZYLCARBAMOYL-2-METHYL-PROPYLCARBAMOYL)-1-(3,5-DIFLUORO-PHENOXYMETHYL)-2-HYDROXY-4-METHOXY-BUTYL]-5-(METHANESULFONYL-METHYL-AMINO)-N'-(1-PHENYLETHYL)-ISOPHTHALAMIDE; N1-((2S,3S,5R)-6-((S)-1-(benzylamino)-3-methyl-1-oxobutan-2-ylamino)-1-(3,5-difluorophenoxy)-3-hydroxy-5-methoxy-6-oxohexan-2-yl)-5-(N-methylmethylsulfonamido)-N3-((R)-1-phenylethyl)isophthalamide
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| Structure |
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Download2D MOL
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| Formula |
C43H51F2N5O9S
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| Canonical SMILES |
CC(C)C(C(=O)NCC1=CC=CC=C1)NC(=O)C(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)OC
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| InChI |
1S/C43H51F2N5O9S/c1-26(2)39(43(55)46-24-28-13-9-7-10-14-28)49-42(54)38(58-5)23-37(51)36(25-59-35-21-32(44)20-33(45)22-35)48-41(53)31-17-30(18-34(19-31)50(4)60(6,56)57)40(52)47-27(3)29-15-11-8-12-16-29/h7-22,26-27,36-39,51H,23-25H2,1-6H3,(H,46,55)(H,47,52)(H,48,53)(H,49,54)/t27-,36+,37+,38-,39+/m1/s1
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| InChIKey |
IEIHXPJWOSDLBU-VWMOWEEZSA-N
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| PubChem Compound ID | ||||
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