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1-[(2R,3R,4R)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone

PropertiesImage
MNX_IDMNXM339164 Image of MNXM339164
referencechebi:127768
formulaC23H29N3O2
global charge0
mol weight379.504
InChIKeySGKWCGWZPXXLRV-QNWVGRARSA-N
InChIInChI=1S/C23H29N3O2/c27-16-21-23(19-9-2-1-3-10-19)20(15-25-13-17-6-4-7-17)26(21)22(28)12-18-8-5-11-24-14-18/h1-3,5,8-11,14,17,20-21,23,25,27H,4,6-7,12-13,15-16H2/t20-,21-,23+/m0/s1
SMILESO=C(CC1=CN=CC=C1)N1[C@@H](CO)[C@H](C2=CC=CC=C2)[C@@H]1CNCC1CCC1
MNX internals
InChI (mnx)InChI=1/C23H29N3O2/c27-16-21-23(19-9-2-1-3-10-19)20(15-25-13-17-6-4-7-17)26(21)22(28)12-18-8-5-11-24-14-18/h1-3,5,8-11,14,17,20-21,23,25,27H,4,6-7,12-13,15-16H2/t20-,21-,23+/m0/s1 Image of MNXM339164
SMILES (mnx)[CH:1]1=[CH:2][CH:9]=[C:19]([C@@H:23]2[C@H:20]([CH2:15][NH:25][CH2:13][CH:17]3[CH2:6][CH2:4][CH2:7]3)[N:26]([C:22]([CH2:12][C:18]3=[CH:14][N:24]=[CH:11][CH:5]=[CH:8]3)=[O:28])[C@H:21]2[CH2:16][OH:27])[CH:10]=[CH:3]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:127768
chebi:127768
SGKWCGWZPXXLRV-QNWVGRARSA-N
1-[(2R,3R,4R)-2-[(cyclobutylmethylamino)methyl]-4-(hydroxymethyl)-3-phenyl-1-azetidinyl]-2-(3-pyridinyl)ethanone