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Drug Details

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Name:CHEMBL94187
PubChem ID:44324988
Pathway:Show KEGG pathways
InChI:InChI=1S/C39H57N7O12/c1-7-13-25(33(52)38(57)40-20-24-14-10-9-11-15-24)42-36(55)28-16-12-17-46(28)39(58)31(21(3)4)44-37(56)32(22(5)8-2)45-35(54)27(19-30(50)51)43-34(53)26(18-29(48)49)41-23(6)47/h9-11,14-15,21-22,25-28,31-32H,7-8,12-13,16-20H2,1-6H3,(H,40,57)(H,41,47)(H,42,55)(H,43,53)(H,44,56)(H,45,54)(H,48,49)(H,50,51)/t22-,25-,26-,27+,28?,31-,32-/m0/s1
SMILES:CCC[C@@H](C(=O)C(=O)NCc1ccccc1)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:C39H57N7O12Atoms:58
Molecular Weight:815.91Rotatable Bonds:30
H-bond Acceptors:19H-bond Donors:8
logP:2.0417
Targets:
Synonyms:
CHEBI:249125
CHEMBL94187