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(2R,3R)-10-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one

PropertiesImage
MNX_IDMNXM170372 Image of MNXM170372
referencechebi:113659
formulaC16H25N3O3
global charge0
mol weight307.394
InChIKeyCZXYLKJVFUIZEK-GYSYKLTISA-N
InChIInChI=1S/C16H25N3O3/c1-10-8-19(11(2)9-20)16(21)12-5-4-6-13(17)15(12)22-14(10)7-18-3/h4-6,10-11,14,18,20H,7-9,17H2,1-3H3/t10-,11-,14+/m1/s1
SMILESCNC[C@@H]1OC2=C(C=CC=C2N)C(=O)N([C@H](C)CO)C[C@H]1C
MNX internals
InChI (mnx)InChI=1/C16H25N3O3/c1-10-8-19(11(2)9-20)16(21)12-5-4-6-13(17)15(12)22-14(10)7-18-3/h4-6,10-11,14,18,20H,7-9,17H2,1-3H3/t10-,11-,14+/m1/s1 Image of MNXM170372
SMILES (mnx)[CH3:1][C@@H:10]1[CH2:8][N:19]([C@H:11]([CH3:2])[CH2:9][OH:20])[C:16](=[O:21])[C:12]2=[C:15]([C:13]([NH2:17])=[CH:6][CH:4]=[CH:5]2)[O:22][C@H:14]1[CH2:7][NH:18][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:113659
chebi:113659
CZXYLKJVFUIZEK-GYSYKLTISA-N
(2R,3R)-10-amino-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-2-(methylaminomethyl)-3,4-dihydro-2H-1,5-benzoxazocin-6-one