Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L5O9VZ
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| Ligand Name |
N-{[(1s)-1-Carboxy-5-{[2-({4,44-Dioxo-48-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-7,10,13,16,19,22,25,28,31,34,37,40-Dodecaoxa-3,43-Diazaoctatetracont-1-Yl}oxy)benzoyl]amino}pentyl]carbamoyl}-L-Glutamic Acid
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| Synonyms |
CHEMBL3309673; N-{[(1s)-1-Carboxy-5-{[2-({4,44-Dioxo-48-[(3as,4s,6ar)-2-Oxohexahydro-1h-Thieno[3,4-D]imidazol-4-Yl]-7,10,13,16,19,22,25,28,31,34,37,40-Dodecaoxa-3,43-Diazaoctatetracont-1-Yl}oxy)benzoyl]amino}pentyl]carbamoyl}-L-Glutamic Acid; BDBM50046838; Q27461632
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| Structure |
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Download2D MOL
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| Formula |
C58H97N7O24S
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| Canonical SMILES |
C1C2C(C(S1)CCCCC(=O)NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)NCCOC3=CC=CC=C3C(=O)NCCCCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)NC(=O)N2
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| InChI |
1S/C58H97N7O24S/c66-50(11-4-3-10-49-53-47(43-90-49)64-58(76)65-53)59-16-19-78-22-24-80-26-28-82-30-32-84-34-36-86-38-40-88-42-41-87-39-37-85-35-33-83-31-29-81-27-25-79-23-21-77-18-14-51(67)60-17-20-89-48-9-2-1-7-44(48)54(70)61-15-6-5-8-45(55(71)72)62-57(75)63-46(56(73)74)12-13-52(68)69/h1-2,7,9,45-47,49,53H,3-6,8,10-43H2,(H,59,66)(H,60,67)(H,61,70)(H,68,69)(H,71,72)(H,73,74)(H2,62,63,75)(H2,64,65,76)/t45-,46-,47-,49-,53-/m0/s1
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| InChIKey |
ULKCTSJOJRHWDD-HJXABITDSA-N
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| PubChem Compound ID | ||||
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