Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG0I5R
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| Ligand Name |
N-((1S,2R)-3-(((1S)-2-(Cyclohexylamino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(phenylmethyl)propyl)-3-((methylsulfonyl)(phenyl)amino) benzamide
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| Synonyms |
CHEMBL1210329; N-((1S,2R)-3-(((1S)-2-(CYCLOHEXYLAMINO)-1-METHYL-2-OXOETHYL)AMINO)-2-HYDROXY-1-( PHENYLMETHYL)PROPYL)-3-((METHYLSULFONYL)(PHENYL)AMINO) BENZAMIDE; BDBM50322877; Q27467538; N-((2S,3R)-4-((S)-1-(cyclohexylamino)-1-oxopropan-2-ylamino)-3-hydroxy-1-phenylbutan-2-yl)-3-(N-phenylmethylsulfonamido)benzamide; XFI
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| Structure |
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Download2D MOL |
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| Formula |
C33H42N4O5S
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| Canonical SMILES |
CC(C(=O)NC1CCCCC1)NCC(C(CC2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)N(C4=CC=CC=C4)S(=O)(=O)C)O
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| InChI |
1S/C33H42N4O5S/c1-24(32(39)35-27-16-8-4-9-17-27)34-23-31(38)30(21-25-13-6-3-7-14-25)36-33(40)26-15-12-20-29(22-26)37(43(2,41)42)28-18-10-5-11-19-28/h3,5-7,10-15,18-20,22,24,27,30-31,34,38H,4,8-9,16-17,21,23H2,1-2H3,(H,35,39)(H,36,40)/t24-,30-,31+/m0/s1
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| InChIKey |
PSSKPAZTPVDDNS-RJSONGRPSA-N
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| PubChem Compound ID | ||||
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