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

Drug Details

add
Name:CHEMBL87724
PubChem ID:44321075
Pathway:Show KEGG pathways
InChI:InChI=1S/C38H50N6O9/c1-6-22(4)33(37(51)43-31(38(52)53)18-25-20-39-27-15-11-10-14-26(25)27)44-36(50)30(19-32(46)47)42-34(48)28(16-21(2)3)41-35(49)29(40-23(5)45)17-24-12-8-7-9-13-24/h7-15,20-22,28-31,33,39H,6,16-19H2,1-5H3,(H,40,45)(H,41,49)(H,42,48)(H,43,51)(H,44,50)(H,46,47)(H,52,53)/t22-,28-,29+,30-,31-,33-/m0/s1
SMILES:CC[C@@H]([C@@H](C(=O)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)C)CC(C)C)CC(=O)O)C

Properties:
Formula:C38H50N6O9Atoms:53
Molecular Weight:734.838Rotatable Bonds:25
H-bond Acceptors:14H-bond Donors:8
logP:4.003
Targets:
Synonyms:
CHEBI:240462
CHEMBL87724