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

Drug Details

add
Name:CHEMBL210794
PubChem ID:44412129
Pathway:Show KEGG pathways
InChI:InChI=1S/C44H57N9O13S/c1-4-25(2)38(51-42(59)37(24-67)46-26(3)54)43(60)49-35(21-27-8-14-30(15-9-27)52(63)64)40(57)47-33(7-5-6-20-45)39(56)48-34(22-29-12-18-32(55)19-13-29)41(58)50-36(44(61)62)23-28-10-16-31(17-11-28)53(65)66/h8-19,25,33-38,55,67H,4-7,20-24,45H2,1-3H3,(H,46,54)(H,47,57)(H,48,56)(H,49,60)(H,50,58)(H,51,59)(H,61,62)/t25?,33-,34-,35-,36-,37-,38-/m0/s1
SMILES:NCCCC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)O)Cc1ccc(cc1)[N+](=O)[O-])Cc1ccc(cc1)O)NC(=O)[C@H](Cc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@H](C(CC)C)NC(=O)[C@@H](NC(=O)C)CS

Properties:
Formula:C44H57N9O13SAtoms:67
Molecular Weight:952.041Rotatable Bonds:33
H-bond Acceptors:17H-bond Donors:10
logP:5.4468
Targets:
Synonyms:
CHEBI:448960
CHEMBL210794