Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L6ZF2G
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| Ligand Name |
N-{(1s,2r)-1-Benzyl-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-6-(Ethylamino)-1-Methyl-1,3,4,5-Tetrahydro-2,1-Benzothiazepine-8-Carboxamide 2,2-Dioxide
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| Synonyms |
N-{(1s,2r)-1-Benzyl-2-Hydroxy-3-[(3-Methoxybenzyl)amino]propyl}-6-(Ethylamino)-1-Methyl-1,3,4,5-Tetrahydro-2,1-Benzothiazepine-8-Carboxamide 2,2-Dioxide; 2WF-3; Q27468097; ZY3
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| Structure |
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Download2D MOL |
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| Formula |
C31H40N4O5S
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| Canonical SMILES |
CCNC1=C2CCCS(=O)(=O)N(C2=CC(=C1)C(=O)NC(CC3=CC=CC=C3)C(CNCC4=CC(=CC=C4)OC)O)C
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| InChI |
1S/C31H40N4O5S/c1-4-33-27-18-24(19-29-26(27)14-9-15-41(38,39)35(29)2)31(37)34-28(17-22-10-6-5-7-11-22)30(36)21-32-20-23-12-8-13-25(16-23)40-3/h5-8,10-13,16,18-19,28,30,32-33,36H,4,9,14-15,17,20-21H2,1-3H3,(H,34,37)/t28-,30+/m0/s1
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| InChIKey |
JAQQVYMOVUUAHB-MFMCTBQISA-N
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| PubChem Compound ID | ||||
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