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Drug Details

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Name:CHEMBL90064
PubChem ID:44325163
Pathway:Show KEGG pathways
InChI:InChI=1S/C31H50N6O12/c1-7-10-18(31(48)49)33-28(45)21-11-9-12-37(21)30(47)24(15(3)4)35-29(46)25(16(5)8-2)36-27(44)20(14-23(41)42)34-26(43)19(13-22(39)40)32-17(6)38/h15-16,18-21,24-25H,7-14H2,1-6H3,(H,32,38)(H,33,45)(H,34,43)(H,35,46)(H,36,44)(H,39,40)(H,41,42)(H,48,49)/t16-,18-,19-,20+,21?,24-,25-/m0/s1
SMILES:CCC[C@@H](C(=O)O)NC(=O)C1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@H](CC)C)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)C)CC(=O)O)CC(=O)O

Properties:
Formula:C31H50N6O12Atoms:49
Molecular Weight:698.762Rotatable Bonds:26
H-bond Acceptors:18H-bond Donors:8
logP:0.8499
Targets:
Synonyms:
CHEBI:249553
CHEMBL90064