Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LA89SW
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| Ligand Name |
(2s)-2-[(2-Amino-1,3-Thiazol-4-Yl)methyl]-N~1~-{(1s,2s)-1-(Cyclohexylmethyl)-2-Hydroxy-2-[(3r)-1,5,5-Trimethyl-2-Oxopyrrolidin-3-Yl]ethyl}-N~4~-[2-(Dimethylamino)-2-Oxoethyl]-N~4~-[(1s)-1-Phenylethyl]butanediamide
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| Synonyms |
(2s)-2-[(2-Amino-1,3-Thiazol-4-Yl)methyl]-N~1~-{(1s,2s)-1-(Cyclohexylmethyl)-2-Hydroxy-2-[(3r)-1,5,5-Trimethyl-2-Oxopyrrolidin-3-Yl]ethyl}-N~4~-[2-(Dimethylamino)-2-Oxoethyl]-N~4~-[(1s)-1-Phenylethyl]butanediamide; SCHEMBL7385909; P2-P3 butanediamide renin inhibitor (3); Q27451322; 0QB
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| Structure |
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Download2D MOL
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| Formula |
C36H54N6O5S
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| Canonical SMILES |
CC(C1=CC=CC=C1)N(CC(=O)N(C)C)C(=O)CC(CC2=CSC(=N2)N)C(=O)NC(CC3CCCCC3)C(C4CC(N(C4=O)C)(C)C)O
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| InChI |
1S/C36H54N6O5S/c1-23(25-15-11-8-12-16-25)42(21-31(44)40(4)5)30(43)19-26(18-27-22-48-35(37)38-27)33(46)39-29(17-24-13-9-7-10-14-24)32(45)28-20-36(2,3)41(6)34(28)47/h8,11-12,15-16,22-24,26,28-29,32,45H,7,9-10,13-14,17-21H2,1-6H3,(H2,37,38)(H,39,46)/t23-,26+,28-,29-,32-/m0/s1
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| InChIKey |
IFJSAOFSWZWPQF-SQMKVVGDSA-N
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| PubChem Compound ID | ||||
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