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

PropertiesImage
MNX_IDMNXM170752 Image of MNXM170752
referencechebi:108702
formulaC22H35N3O3
global charge0
mol weight389.54
InChIKeyNQBYIEPUWCEMNR-YRNRMSPPSA-N
InChIInChI=1S/C22H35N3O3/c1-15-11-25(16(2)14-26)22(27)18-7-6-8-19(23(3)4)21(18)28-20(15)13-24(5)12-17-9-10-17/h6-8,15-17,20,26H,9-14H2,1-5H3/t15-,16+,20-/m0/s1
SMILESC[C@H](CO)N1C[C@H](C)[C@H](CN(C)CC2CC2)OC2=C(C=CC=C2N(C)C)C1=O
MNX internals
InChI (mnx)InChI=1/C22H35N3O3/c1-15-11-25(16(2)14-26)22(27)18-7-6-8-19(23(3)4)21(18)28-20(15)13-24(5)12-17-9-10-17/h6-8,15-17,20,26H,9-14H2,1-5H3/t15-,16+,20-/m0/s1 Image of MNXM170752
SMILES (mnx)[CH3:1][C@H:15]1[CH2:11][N:25]([C@H:16]([CH3:2])[CH2:14][OH:26])[C:22](=[O:27])[C:18]2=[C:21]([C:19]([N:23]([CH3:3])[CH3:4])=[CH:8][CH:6]=[CH:7]2)[O:28][C@H:20]1[CH2:13][N:24]([CH3:5])[CH2:12][CH:17]1[CH2:9][CH2:10]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:108702
chebi:108702
NQBYIEPUWCEMNR-YRNRMSPPSA-N
(2R,3S)-2-[[cyclopropylmethyl(methyl)amino]methyl]-10-(dimethylamino)-5-[(2R)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2H-1,5-benzoxazocin-6-one