Ligand Information
Ligand General Information | Top | |||
---|---|---|---|---|
Ligand ID |
LM4RY2
|
|||
Ligand Name |
N,N-[2,5-O-Dibenzyl-glucaryl]-DI-[valinyl-aminomethanyl-pyridine]
|
|||
Synonyms |
INHIBITOR MSA367; N,N-[2,5-O-DIBENZYL-GLUCARYL]-DI-[VALINYL-AMINOMETHANYL-PYRIDINE]; 1ec3; MS3; symmetric/asymmetric inhibitor 9; BDBM12222; DB03803; Q27463508; (2R,3R,4R,5R)-2,5-bis(benzyloxy)-3,4-dihydroxy-N,N''-bis[(1S)-2-methyl-1-[(pyridin-2-ylmethyl)carbamoyl]propyl]hexanediamide; (2R,3R,4R,5R)-2,5-dibenzyloxy-3,4-dihydroxy-N,N'-bis[(1S)-2-methyl-1-(2-pyridylmethylcarbamoyl)propyl]hexanediamide; 2,5-Bis-benzyloxy-3,4-dihydroxy-hexanedioic acid, bis-({2-methyl-1-[(pyridin-2-ylmethyl)-carbamoyl]-propyl}-amide)
Click to Show/Hide
|
|||
Structure |
Download2D MOL
|
|||
Formula |
C42H52N6O8
|
|||
Canonical SMILES |
CC(C)C(C(=O)NCC1=CC=CC=N1)NC(=O)C(C(C(C(C(=O)NC(C(C)C)C(=O)NCC2=CC=CC=N2)OCC3=CC=CC=C3)O)O)OCC4=CC=CC=C4
|
|||
InChI |
1S/C42H52N6O8/c1-27(2)33(39(51)45-23-31-19-11-13-21-43-31)47-41(53)37(55-25-29-15-7-5-8-16-29)35(49)36(50)38(56-26-30-17-9-6-10-18-30)42(54)48-34(28(3)4)40(52)46-24-32-20-12-14-22-44-32/h5-22,27-28,33-38,49-50H,23-26H2,1-4H3,(H,45,51)(H,46,52)(H,47,53)(H,48,54)/t33-,34-,35+,36+,37+,38+/m0/s1
|
|||
InChIKey |
SVFLQOLSPWURCD-CXPJILFNSA-N
|
|||
PubChem Compound ID |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.