Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
LG1O7X
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| Ligand Name |
(3~{s},6~{s},7~{r},9~{a}~{r})-6-[[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-Acetamido-3-(2-Chlorophenyl)propanoyl]-5-Oxidanylidene-Spiro[1,2,3,8~{a}-Tetrahydroindolizine-6,2'-Pyrrolidine]-3-Yl]carbonylamino]-7-Methyl-5-Oxidanylidene-1,2,3,6,7,9~{a}-Hexahydropyrrolo[1,2-A]azepine-3-Carboxylic Acid
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| Synonyms |
(3~{s},6~{s},7~{r},9~{a}~{r})-6-[[(3~{s},6~{r},8~{a}~{s})-1'-[(2~{s})-2-Acetamido-3-(2-Chlorophenyl)propanoyl]-5-Oxidanylidene-Spiro[1,2,3,8~{a}-Tetrahydroindolizine-6,2'-Pyrrolidine]-3-Yl]carbonylamino]-7-Methyl-5-Oxidanylidene-1,2,3,6,7,9~{a}-Hexahydropyrrolo[1,2-A]azepine-3-Carboxylic Acid; 8S8
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| Structure |
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Download2D MOL |
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| Formula |
C34H40ClN5O7
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| Canonical SMILES |
CC1C=CC2CCC(N2C(=O)C1NC(=O)C3CCC4N3C(=O)C5(CCCN5C(=O)C(CC6=CC=CC=C6Cl)NC(=O)C)C=C4)C(=O)O
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| InChI |
1S/C34H40ClN5O7/c1-19-8-9-22-11-13-27(32(45)46)39(22)31(44)28(19)37-29(42)26-12-10-23-14-16-34(33(47)40(23)26)15-5-17-38(34)30(43)25(36-20(2)41)18-21-6-3-4-7-24(21)35/h3-4,6-9,14,16,19,22-23,25-28H,5,10-13,15,17-18H2,1-2H3,(H,36,41)(H,37,42)(H,45,46)/t19-,22+,23+,25+,26+,27+,28+,34-/m1/s1
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| InChIKey |
WKURYOLGXNZIGX-WKYFTVTDSA-N
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| PubChem Compound ID | ||||
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