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Drug Details

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Name:alpha-ketothiazole analogue 33
PubChem ID:16098911
Pathway:Show KEGG pathways
InChI:InChI=1S/C29H44BrN11O4S/c1-16(2)22(25(44)39-20(6-4-12-36-27(31)32)23(42)26-35-14-15-46-26)41-24(43)21(7-5-13-37-28(33)34)40-29(45)38-17(3)18-8-10-19(30)11-9-18/h8-11,14-17,20-22H,4-7,12-13H2,1-3H3,(H,39,44)(H,41,43)(H4,31,32,36)(H4,33,34,37)(H2,38,40,45)/t17-,20+,21+,22+/m1/s1
SMILES:O=C(N[C@@H](c1ccc(cc1)Br)C)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)c1nccs1)CCCN=C(N)N)C(C)C)CCCN=C(N)N

Properties:
Formula:C29H44BrN11O4SAtoms:46
Molecular Weight:722.7Rotatable Bonds:22
H-bond Acceptors:16H-bond Donors:8
logP:5.6149
Targets:
Synonyms:
()-oxazepam hemisuccinate sodium salt
alpha-ketothiazole analogue 33
CHEMBL384971