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Drug Details

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Name:CHEMBL438247
PubChem ID:10581102
Pathway:Show KEGG pathways
InChI:InChI=1S/C36H48N8O8S2/c1-20(45)30-35(50)43-29(36(51)52)19-54-53-18-24(38)31(46)41-27(15-21-9-3-2-4-10-21)33(48)42-28(16-22-17-39-25-12-6-5-11-23(22)25)34(49)40-26(32(47)44-30)13-7-8-14-37/h2-6,9-12,17,20,24,26-30,39,45H,7-8,13-16,18-19,37-38H2,1H3,(H,40,49)(H,41,46)(H,42,48)(H,43,50)(H,44,47)(H,51,52)/t20-,24+,26+,27+,28-,29+,30?/m1/s1
SMILES:NCCCC[C@@H]1NC(=O)[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)C(=O)O)Cc1c[nH]c2c1cccc2

Properties:
Formula:C36H48N8O8S2Atoms:54
Molecular Weight:784.945Rotatable Bonds:10
H-bond Acceptors:17H-bond Donors:10
logP:2.7384
Targets:
Synonyms:
CHEBI:453373
CHEMBL438247
CID 10581102
CID10581102