Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LM1PI7
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| Ligand Name |
methyl N-[(2S)-1-[2-[3-[(3R,6S,10Z)-3-hydroxy-4,7-dioxo-6-propan-2-yl-5,8-diazabicyclo[11.2.2]heptadeca-1(15),10,13,16-tetraen-3-yl]propyl]-2-[(4-thiophen-2-ylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
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| Structure |
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Download2D MOL
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| Formula |
C40H53N5O6S
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| Canonical SMILES |
CC(C)C1C(=O)NCC=CCC2=CC=C(CC(C(=O)N1)(CCCN(CC3=CC=C(C=C3)C4=CC=CS4)NC(=O)C(C(C)(C)C)NC(=O)OC)O)C=C2
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| InChI |
1S/C40H53N5O6S/c1-27(2)33-35(46)41-22-8-7-11-28-13-15-29(16-14-28)25-40(50,37(48)42-33)21-10-23-45(44-36(47)34(39(3,4)5)43-38(49)51-6)26-30-17-19-31(20-18-30)32-12-9-24-52-32/h7-9,12-20,24,27,33-34,50H,10-11,21-23,25-26H2,1-6H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/b8-7-/t33-,34+,40+/m0/s1
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| InChIKey |
NERZJFGHXSDKOR-SDGWMEQNSA-N
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| PubChem Compound ID | ||||
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