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Drug Details

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Name:CHEMBL431218
PubChem ID:44320908
Pathway:Show KEGG pathways
InChI:InChI=1S/C46H68N8O8/c1-8-28(5)39(44(59)52-38(46(61)62)25-32-26-48-34-20-14-13-19-33(32)34)54-45(60)40(29(6)9-2)53-41(56)35(21-15-16-22-47)50-42(57)36(23-27(3)4)51-43(58)37(49-30(7)55)24-31-17-11-10-12-18-31/h10-14,17-20,26-29,35-40,48H,8-9,15-16,21-25,47H2,1-7H3,(H,49,55)(H,50,57)(H,51,58)(H,52,59)(H,53,56)(H,54,60)(H,61,62)/t28-,29-,35-,36-,37+,38-,39-,40-/m0/s1
SMILES:NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)[C@H](CC)C)[C@H](CC)C)NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C)CC(C)C

Properties:
Formula:C46H68N8O8Atoms:62
Molecular Weight:861.081Rotatable Bonds:32
H-bond Acceptors:15H-bond Donors:9
logP:6.2794
Targets:
Synonyms:
CHEBI:240184
CHEMBL431218