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(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one

PropertiesImage
MNX_IDMNXM172403 Image of MNXM172403
referencechebi:104838
formulaC24H41N3O4
global charge0
mol weight435.609
InChIKeyAHFPIWRBAUHSCU-CROMWVBPSA-N
InChIInChI=1S/C24H41N3O4/c1-17-15-27(18(2)16-28)24(29)21-13-20(26(5)6)10-11-22(21)31-19(3)9-7-8-12-30-23(17)14-25-4/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18-,19+,23-/m1/s1
SMILESCNC[C@H]1OCCCC[C@H](C)OC2=C(C=C(N(C)C)C=C2)C(=O)N([C@H](C)CO)C[C@H]1C
MNX internals
InChI (mnx)InChI=1/C24H41N3O4/c1-17-15-27(18(2)16-28)24(29)21-13-20(26(5)6)10-11-22(21)31-19(3)9-7-8-12-30-23(17)14-25-4/h10-11,13,17-19,23,25,28H,7-9,12,14-16H2,1-6H3/t17-,18-,19+,23-/m1/s1 Image of MNXM172403
SMILES (mnx)[CH3:1][C@@H:17]1[CH2:15][N:27]([C@H:18]([CH3:2])[CH2:16][OH:28])[C:24](=[O:29])[C:21]2=[CH:13][C:20]([N:26]([CH3:5])[CH3:6])=[CH:10][CH:11]=[C:22]2[O:31][C@@H:19]([CH3:3])[CH2:9][CH2:7][CH2:8][CH2:12][O:30][C@@H:23]1[CH2:14][NH:25][CH3:4]
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:104838
chebi:104838
AHFPIWRBAUHSCU-CROMWVBPSA-N
(3S,9S,10R)-16-(dimethylamino)-12-[(2R)-1-hydroxypropan-2-yl]-3,10-dimethyl-9-(methylaminomethyl)-2,8-dioxa-12-azabicyclo[12.4.0]octadeca-1(14),15,17-trien-13-one