Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LM1I4E
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| Ligand Name |
methyl N-[(2S)-1-[2-[(4R)-4-hydroxy-5-[[(2S)-3-methyl-1-oxo-1-(prop-2-enylamino)butan-2-yl]amino]-5-oxo-4-[(4-prop-2-enylphenyl)methyl]pentyl]-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 |
C42H57N5O6S
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| Canonical SMILES |
CC(C)C(C(=O)NCC=C)NC(=O)C(CCCN(CC1=CC=C(C=C1)C2=CC=CS2)NC(=O)C(C(C)(C)C)NC(=O)OC)(CC3=CC=C(C=C3)CC=C)O
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| InChI |
1S/C42H57N5O6S/c1-9-13-30-15-17-31(18-16-30)27-42(52,39(50)44-35(29(3)4)37(48)43-24-10-2)23-12-25-47(46-38(49)36(41(5,6)7)45-40(51)53-8)28-32-19-21-33(22-20-32)34-14-11-26-54-34/h9-11,14-22,26,29,35-36,52H,1-2,12-13,23-25,27-28H2,3-8H3,(H,43,48)(H,44,50)(H,45,51)(H,46,49)/t35-,36+,42+/m0/s1
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| InChIKey |
IBNVZQRVRDNWIL-FCSANXPSSA-N
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| PubChem Compound ID | ||||
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