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(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]-1-propanol

PropertiesImage
MNX_IDMNXM170336 Image of MNXM170336
referencechebi:121874
formulaC23H39N3O
global charge0
mol weight373.585
InChIKeyJWUMTZQBXUPHNJ-FCHUYYIVSA-N
InChIInChI=1S/C23H39N3O/c1-24-15-21(14-19-8-4-2-5-9-19)25-16-22(17-27)26-18-23(12-13-23)20-10-6-3-7-11-20/h3,6-7,10-11,19,21-22,24-27H,2,4-5,8-9,12-18H2,1H3/t21-,22+/m0/s1
SMILESCNC[C@H](CC1CCCCC1)NC[C@H](CO)NCC1(C2=CC=CC=C2)CC1
MNX internals
InChI (mnx)InChI=1/C23H39N3O/c1-24-15-21(14-19-8-4-2-5-9-19)25-16-22(17-27)26-18-23(12-13-23)20-10-6-3-7-11-20/h3,6-7,10-11,19,21-22,24-27H,2,4-5,8-9,12-18H2,1H3/t21-,22+/m0/s1 Image of MNXM170336
SMILES (mnx)[CH3:1][NH:24][CH2:15][C@H:21]([CH2:14][CH:19]1[CH2:8][CH2:4][CH2:2][CH2:5][CH2:9]1)[NH:25][CH2:16][C@H:22]([CH2:17][OH:27])[NH:26][CH2:18][C:23]1([C:20]2=[CH:10][CH:6]=[CH:3][CH:7]=[CH:11]2)[CH2:12][CH2:13]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:121874
chebi:121874
JWUMTZQBXUPHNJ-FCHUYYIVSA-N
(2R)-3-[[(2S)-1-cyclohexyl-3-(methylamino)propan-2-yl]amino]-2-[(1-phenylcyclopropyl)methylamino]-1-propanol