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Drug Details

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Name:CHEMBL276098
PubChem ID:44270250
Pathway:Show KEGG pathways
InChI:InChI=1S/C43H60N10O10S2/c1-22(2)35-43(63)51-34(42(62)53-36(23(3)54)37(45)57)21-65-64-20-33(47-24(4)55)41(61)49-31(17-25-12-14-27(56)15-13-25)39(59)50-32(18-26-19-46-29-10-6-5-9-28(26)29)40(60)48-30(38(58)52-35)11-7-8-16-44/h5-6,9-10,12-15,19,22-23,30-36,46,54,56H,7-8,11,16-18,20-21,44H2,1-4H3,(H2,45,57)(H,47,55)(H,48,60)(H,49,61)(H,50,59)(H,51,63)(H,52,58)(H,53,62)/t23?,30-,31-,32+,33-,34+,35+,36+/m1/s1
SMILES:NCCCC[C@H]1NC(=O)[C@@H](NC(=O)[C@@H](Cc2ccc(cc2)O)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)C(C)C)C(=O)N[C@H](C(=O)N)C(O)C)NC(=O)C)Cc1c[nH]c2c1cccc2

Properties:
Formula:C43H60N10O10S2Atoms:65
Molecular Weight:941.128Rotatable Bonds:16
H-bond Acceptors:21H-bond Donors:12
logP:2.9447
Targets:
Synonyms:
CHEBI:116043
CHEMBL276098