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

Drug Details

add
Name:CHEMBL406051
PubChem ID:44290718
Pathway:Show KEGG pathways
InChI:InChI=1S/C57H69N11O9S2/c1-35(69)51-56(76)66-48(29-37-16-6-3-7-17-37)57(77)68(34-49(59)70)25-27-79-78-26-23-50(71)62-45(28-36-14-4-2-5-15-36)53(73)64-47(31-39-33-61-43-21-11-9-19-41(39)43)55(75)65-46(30-38-32-60-42-20-10-8-18-40(38)42)54(74)63-44(52(72)67-51)22-12-13-24-58/h2-11,14-21,32-33,35,44-48,51,60-61,69H,12-13,22-31,34,58H2,1H3,(H2,59,70)(H,62,71)(H,63,74)(H,64,73)(H,65,75)(H,66,76)(H,67,72)/t35-,44-,45+,46-,47-,48-,51?/m1/s1
SMILES:NCCCC[C@H]1NC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CCSSCCN(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:C57H69N11O9S2Atoms:79
Molecular Weight:1116.36Rotatable Bonds:15
H-bond Acceptors:20H-bond Donors:11
logP:5.7487
Targets:
Synonyms:
CHEBI:167419
CHEMBL406051