Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L3Z4CW
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| Ligand Name |
N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(Trifluoromethyl)benzyl]amino}propyl]-7-Ethyl-1-Methyl-3,4-Dihydro-1h-[1,2,5]thiadiazepino[3,4,5-Hi]indole-9-Carboxamide 2,2-Dioxide
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| Synonyms |
N-[(1s,2r)-1-Benzyl-2-Hydroxy-3-{[3-(Trifluoromethyl)benzyl]amino}propyl]-7-Ethyl-1-Methyl-3,4-Dihydro-1h-[1,2,5]thiadiazepino[3,4,5-Hi]indole-9-Carboxamide 2,2-Dioxide; BMCL193669 Compound 9; CHEMBL554349; SCHEMBL5930482; BDBM26503; tricyclic hydroxyethylamine (HEA) derivative, 8a; Q27458855; 3-ethyl-N-[(2S,3R)-3-hydroxy-1-phenyl-4-({[3-(trifluoromethyl)phenyl]methyl}amino)butan-2-yl]-9-methyl-10,10-dioxo-10$l^{6}-thia-1,9-diazatricyclo[6.4.1.0^{4,13}]trideca-2,4(13),5,7-tetraene-6-carboxamide
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| Structure |
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Download2D MOL |
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| Formula |
C32H35F3N4O4S
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| Canonical SMILES |
CCC1=CN2CCS(=O)(=O)N(C3=CC(=CC1=C32)C(=O)NC(CC4=CC=CC=C4)C(CNCC5=CC(=CC=C5)C(F)(F)F)O)C
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| InChI |
1S/C32H35F3N4O4S/c1-3-23-20-39-12-13-44(42,43)38(2)28-17-24(16-26(23)30(28)39)31(41)37-27(15-21-8-5-4-6-9-21)29(40)19-36-18-22-10-7-11-25(14-22)32(33,34)35/h4-11,14,16-17,20,27,29,36,40H,3,12-13,15,18-19H2,1-2H3,(H,37,41)/t27-,29+/m0/s1
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| InChIKey |
MSHYGGHZTGSTOG-LMSSTIIKSA-N
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| PubChem Compound ID | ||||
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