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(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one

PropertiesImage
MNX_IDMNXM173509 Image of MNXM173509
referencechebi:113392
formulaC24H37N5O3
global charge0
mol weight443.592
InChIKeyJFBDPIUUNLHCPK-QTEQDKRBSA-N
InChIInChI=1S/C24H37N5O3/c1-18-7-5-8-21(11-18)14-27(4)15-23-19(2)13-28(20(3)16-30)24(31)9-6-10-29-22(17-32-23)12-25-26-29/h5,7-8,11-12,19-20,23,30H,6,9-10,13-17H2,1-4H3/t19-,20+,23+/m1/s1
SMILESCC1=CC(CN(C)C[C@@H]2OCC3=CN=NN3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)=CC=C1
MNX internals
InChI (mnx)InChI=1/C24H37N5O3/c1-18-7-5-8-21(11-18)14-27(4)15-23-19(2)13-28(20(3)16-30)24(31)9-6-10-29-22(17-32-23)12-25-26-29/h5,7-8,11-12,19-20,23,30H,6,9-10,13-17H2,1-4H3/t19-,20+,23+/m1/s1 Image of MNXM173509
SMILES (mnx)[CH3:1][C:18]1=[CH:11][C:21]([CH2:14][N:27]([CH3:4])[CH2:15][C@H:23]2[C@H:19]([CH3:2])[CH2:13][N:28]([C@@H:20]([CH3:3])[CH2:16][OH:30])[C:24](=[O:31])[CH2:9][CH2:6][CH2:10][N:29]3[C:22](=[CH:12][N:25]=[N:26]3)[CH2:17][O:32]2)=[CH:8][CH:5]=[CH:7]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:113392
chebi:113392
JFBDPIUUNLHCPK-QTEQDKRBSA-N
(8R,9R)-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-9-[[methyl-[(3-methylphenyl)methyl]amino]methyl]-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one