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(2R,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one

PropertiesImage
MNX_IDMNXM170461 Image of MNXM170461
referencechebi:124473
formulaC24H34N4O3
global charge0
mol weight426.561
InChIKeyVHHIAINGBKGYCV-STSQHVNTSA-N
InChIInChI=1S/C24H34N4O3/c1-17-13-28(18(2)16-29)24(30)21-12-20(26(3)4)6-7-22(21)31-23(17)15-27(5)14-19-8-10-25-11-9-19/h6-12,17-18,23,29H,13-16H2,1-5H3/t17-,18+,23+/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)C2=C(C=CC(N(C)C)=C2)O[C@H]1CN(C)CC1=CC=NC=C1
MNX internals
InChI (mnx)InChI=1/C24H34N4O3/c1-17-13-28(18(2)16-29)24(30)21-12-20(26(3)4)6-7-22(21)31-23(17)15-27(5)14-19-8-10-25-11-9-19/h6-12,17-18,23,29H,13-16H2,1-5H3/t17-,18+,23+/m1/s1 Image of MNXM170461
SMILES (mnx)[CH3:1][C@@H:17]1[CH2:13][N:28]([C@@H:18]([CH3:2])[CH2:16][OH:29])[C:24](=[O:30])[C:21]2=[C:22]([CH:7]=[CH:6][C:20]([N:26]([CH3:3])[CH3:4])=[CH:12]2)[O:31][C@H:23]1[CH2:15][N:27]([CH3:5])[CH2:14][C:19]1=[CH:9][CH:11]=[N:25][CH:10]=[CH:8]1
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:124473
chebi:124473
VHHIAINGBKGYCV-STSQHVNTSA-N
(2R,3R)-8-(dimethylamino)-5-[(2S)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl(pyridin-4-ylmethyl)amino]methyl]-3,4-dihydro-2H-1,5-benzoxazocin-6-one