Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1XQ3R
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| Ligand Name |
(2s)-N-{(2r)-1-[(2r,4s)-2-{[6,6'-Difluoro-3'-({(2r,4s)-4-Hydroxy-1-[(2s)-2-{[(2s)-2-(Methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-Yl}methyl)-1h,1'h-2,2'-Biindol-3-Yl]methyl}-4-Hydroxypyrrolidin-1-Yl]-1-Oxobutan-2-Yl}-2-(Methylamino)propanamide
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| Synonyms |
(2s)-N-{(2r)-1-[(2r,4s)-2-{[6,6'-Difluoro-3'-({(2r,4s)-4-Hydroxy-1-[(2s)-2-{[(2s)-2-(Methylamino)propanoyl]amino}butanoyl]pyrrolidin-2-Yl}methyl)-1h,1'h-2,2'-Biindol-3-Yl]methyl}-4-Hydroxypyrrolidin-1-Yl]-1-Oxobutan-2-Yl}-2-(Methylamino)propanamide; SCHEMBL16156866; Q27454369
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| Structure |
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Download2D MOL
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| Formula |
C42H56F2N8O6
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| Canonical SMILES |
CCC(C(=O)N1CC(CC1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6CC(CN6C(=O)C(CC)NC(=O)C(C)NC)O)O)NC(=O)C(C)NC
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| InChI |
1S/C42H56F2N8O6/c1-7-33(49-39(55)21(3)45-5)41(57)51-19-27(53)15-25(51)17-31-29-11-9-23(43)13-35(29)47-37(31)38-32(30-12-10-24(44)14-36(30)48-38)18-26-16-28(54)20-52(26)42(58)34(8-2)50-40(56)22(4)46-6/h9-14,21-22,25-28,33-34,45-48,53-54H,7-8,15-20H2,1-6H3,(H,49,55)(H,50,56)/t21-,22-,25-,26-,27-,28-,33-,34+/m0/s1
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| InChIKey |
PKWRMUKBEYJEIX-MNBKFCNDSA-N
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| PubChem Compound ID | ||||
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