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Name:CHEMBL408752
PubChem ID:44280064
Pathway:Show KEGG pathways
InChI:InChI=1S/C49H65N11O10S2/c1-27(61)40(42(52)63)59-48(69)39-26-72-71-25-38(57-43(64)33(51)21-29-13-5-3-6-14-29)47(68)55-36(22-30-15-7-4-8-16-30)45(66)56-37(23-31-24-53-34-18-10-9-17-32(31)34)46(67)54-35(19-11-12-20-50)44(65)60-41(28(2)62)49(70)58-39/h3-10,13-18,24,27-28,33,35-41,53,61-62H,11-12,19-23,25-26,50-51H2,1-2H3,(H2,52,63)(H,54,67)(H,55,68)(H,56,66)(H,57,64)(H,58,70)(H,59,69)(H,60,65)/t27-,28-,33-,35+,36+,37+,38-,39+,40+,41?/m1/s1
SMILES:NCCCC[C@@H]1NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)N[C@H](C(=O)N)[C@H](O)C)NC(=O)[C@@H](Cc1ccccc1)N)Cc1c[nH]c2c1cccc2

Properties:
Formula:C49H65N11O10S2Atoms:72
Molecular Weight:1032.24Rotatable Bonds:19
H-bond Acceptors:22H-bond Donors:13
logP:3.2143
Targets:
Synonyms:
CHEBI:144090
CHEMBL408752