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

Drug Details

add
Name:CHEMBL210921
PubChem ID:44412311
Pathway:Show KEGG pathways
InChI:InChI=1S/C46H58N8O13S/c1-3-26(2)40-45(63)51-35(23-28-9-15-31(55)16-10-28)42(60)49-33(6-4-5-21-47-38(57)19-20-39(58)48-37(25-68)44(62)53-40)41(59)50-34(22-27-7-13-30(14-8-27)54(66)67)43(61)52-36(46(64)65)24-29-11-17-32(56)18-12-29/h7-18,26,33-37,40,55-56,68H,3-6,19-25H2,1-2H3,(H,47,57)(H,48,58)(H,49,60)(H,50,59)(H,51,63)(H,52,61)(H,53,62)(H,64,65)/t26?,33-,34-,35-,36-,37-,40-/m0/s1
SMILES:CC[C@H]([C@@H]1NC(=O)[C@H](CS)NC(=O)CCC(=O)NCCCC[C@H](NC(=O)[C@@H](NC1=O)Cc1ccc(cc1)O)C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)O)Cc1ccc(cc1)[N+](=O)[O-])C

Properties:
Formula:C46H58N8O13SAtoms:68
Molecular Weight:963.064Rotatable Bonds:17
H-bond Acceptors:19H-bond Donors:11
logP:4.0325
Targets:
Synonyms:
CHEBI:449593
CHEMBL210921