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(2R,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

PropertiesImage
MNX_IDMNXM170837 Image of MNXM170837
referencechebi:106333
formulaC15H22BrN3O3
global charge0
mol weight372.263
InChIKeyWOUSVQRWYFHTGE-CWSCBRNRSA-N
InChIInChI=1S/C15H22BrN3O3/c1-9-7-19(10(2)8-20)15(21)12-4-11(16)5-18-14(12)22-13(9)6-17-3/h4-5,9-10,13,17,20H,6-8H2,1-3H3/t9-,10+,13-/m0/s1
SMILESCNC[C@@H]1OC2=NC=C(Br)C=C2C(=O)N([C@H](C)CO)C[C@@H]1C
MNX internals
InChI (mnx)InChI=1/C15H22BrN3O3/c1-9-7-19(10(2)8-20)15(21)12-4-11(16)5-18-14(12)22-13(9)6-17-3/h4-5,9-10,13,17,20H,6-8H2,1-3H3/t9-,10+,13-/m0/s1 Image of MNXM170837
SMILES (mnx)[CH3:1][C@H:9]1[CH2:7][N:19]([C@H:10]([CH3:2])[CH2:8][OH:20])[C:15](=[O:21])[C:12]2=[C:14]([N:18]=[CH:5][C:11]([Br:16])=[CH:4]2)[O:22][C@H:13]1[CH2:6][NH:17][CH3:3]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:106333
chebi:106333
WOUSVQRWYFHTGE-CWSCBRNRSA-N
(2R,3S)-8-bromo-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one