Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LJT51W
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| Ligand Name |
(2r,6s,13ar,14ar,16as)-6-{[(Cyclopentyloxy)carbonyl]amino}-14a-[(Cyclopropylsulfonyl)carbamoyl]-5,16-Dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-A][1,4]diazacyclopentadecin-2-Yl 3,4-Dihydroisoquinoline-2(1h)-Carboxylate
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| Synonyms |
(2r,6s,13ar,14ar,16as)-6-{[(Cyclopentyloxy)carbonyl]amino}-14a-[(Cyclopropylsulfonyl)carbamoyl]-5,16-Dioxooctadecahydrocyclopropa[e]pyrrolo[1,2-A][1,4]diazacyclopentadecin-2-Yl 3,4-Dihydroisoquinoline-2(1h)-Carboxylate; 4ktc; SCHEMBL8278921; Q27452534
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| Structure |
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Download2D MOL
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| Formula |
C37H51N5O9S
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| Canonical SMILES |
C1CCCC2CC2(NC(=O)C3CC(CN3C(=O)C(CCC1)NC(=O)OC4CCCC4)OC(=O)N5CCC6=CC=CC=C6C5)C(=O)NS(=O)(=O)C7CC7
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| InChI |
1S/C37H51N5O9S/c43-32-31-20-28(51-36(47)41-19-18-24-10-6-7-11-25(24)22-41)23-42(31)33(44)30(38-35(46)50-27-13-8-9-14-27)15-5-3-1-2-4-12-26-21-37(26,39-32)34(45)40-52(48,49)29-16-17-29/h6-7,10-11,26-31H,1-5,8-9,12-23H2,(H,38,46)(H,39,43)(H,40,45)/t26-,28-,30+,31+,37-/m1/s1
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| InChIKey |
VQZYSHWAKCNHJX-IVYVMHIUSA-N
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| PubChem Compound ID | ||||
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