Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6AV3R
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| Ligand Name |
[[[3-(2-Methyl-propane-2-sulfonyl)-1-benzenyl]-2-propyl]-carbonyl-histidyl]-amino-[cyclohexylmethyl]-[2-hydroxy-4-isopropyl]-pentan-5-oic acid butylamide
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| Synonyms |
[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1-BENZENYL]-2-PROPYL]-CARBONYL-HISTIDYL]-AMINO-[CYCLOHEXYLMETHYL]-[2-HYDROXY-4-ISOPROPYL]-PENTAN-5-OIC ACID BUTYLAMIDE; 1rne; CHEMBL293196; SCHEMBL12921157; BDBM17941; Q27458666; (2S,4S,5S)-5-[(2S)-2-[(2S)-2-benzyl-3-[(2-methylpropane-2-)sulfonyl]propanamido]-3-(1H-imidazol-4-yl)propanamido]-N-butyl-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanamide
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| Structure |
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Download2D MOL
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| Formula |
C39H63N5O6S
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| Canonical SMILES |
CCCCNC(=O)C(CC(C(CC1CCCCC1)NC(=O)C(CC2=CN=CN2)NC(=O)C(CC3=CC=CC=C3)CS(=O)(=O)C(C)(C)C)O)C(C)C
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| InChI |
1S/C39H63N5O6S/c1-7-8-19-41-37(47)32(27(2)3)23-35(45)33(21-29-17-13-10-14-18-29)43-38(48)34(22-31-24-40-26-42-31)44-36(46)30(20-28-15-11-9-12-16-28)25-51(49,50)39(4,5)6/h9,11-12,15-16,24,26-27,29-30,32-35,45H,7-8,10,13-14,17-23,25H2,1-6H3,(H,40,42)(H,41,47)(H,43,48)(H,44,46)/t30-,32+,33+,34+,35+/m1/s1
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| InChIKey |
GGKXIITZBSPCQP-IZIWAXSGSA-N
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| PubChem Compound ID | ||||
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