Home
Drugs
Targets
Pathways
Ontologies
Cyp450s
Adv.search
Help/FAQ

Drug Details

add
Name:CHEMBL408471
PubChem ID:44290766
Pathway:Show KEGG pathways
InChI:InChI=1S/C56H67N11O9S2/c1-34(68)50-55(75)65-47(27-36-16-6-3-7-17-36)56(76)67(32-48(58)69)24-25-77-78-33-49(70)61-44(26-35-14-4-2-5-15-35)52(72)63-46(29-38-31-60-42-21-11-9-19-40(38)42)54(74)64-45(28-37-30-59-41-20-10-8-18-39(37)41)53(73)62-43(51(71)66-50)22-12-13-23-57/h2-11,14-21,30-31,34,43-47,50,59-60,68H,12-13,22-29,32-33,57H2,1H3,(H2,58,69)(H,61,70)(H,62,73)(H,63,72)(H,64,74)(H,65,75)(H,66,71)/t34-,43-,44+,45-,46-,47-,50?/m1/s1
SMILES:NCCCC[C@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CSSCCN(C(=O)[C@H](NC(=O)[C@@H](NC1=O)[C@H](O)C)Cc1ccccc1)CC(=O)N)Cc1ccccc1)Cc1c[nH]c2c1cccc2)Cc1c[nH]c2c1cccc2

Properties:
Formula:C56H67N11O9S2Atoms:78
Molecular Weight:1102.33Rotatable Bonds:15
H-bond Acceptors:20H-bond Donors:11
logP:5.3586
Targets:
Synonyms:
CHEBI:167533
CHEMBL408471