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(8R,9R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one

PropertiesImage
MNX_IDMNXM173543 Image of MNXM173543
referencechebi:96002
formulaC24H35N5O5
global charge0
mol weight473.574
InChIKeyZLSVBQPGKZIPOU-STSQHVNTSA-N
InChIInChI=1S/C24H35N5O5/c1-17-10-29(18(2)14-30)24(31)5-4-8-28-12-20(25-26-28)15-32-23(17)13-27(3)11-19-6-7-21-22(9-19)34-16-33-21/h6-7,9,12,17-18,23,30H,4-5,8,10-11,13-16H2,1-3H3/t17-,18+,23+/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)CCCN2C=C(CO[C@H]1CN(C)CC1=CC3=C(C=C1)OCO3)N=N2
MNX internals
InChI (mnx)InChI=1/C24H35N5O5/c1-17-10-29(18(2)14-30)24(31)5-4-8-28-12-20(25-26-28)15-32-23(17)13-27(3)11-19-6-7-21-22(9-19)34-16-33-21/h6-7,9,12,17-18,23,30H,4-5,8,10-11,13-16H2,1-3H3/t17-,18+,23+/m1/s1 Image of MNXM173543
SMILES (mnx)[CH3:1][C@@H:17]1[CH2:10][N:29]([C@@H:18]([CH3:2])[CH2:14][OH:30])[C:24](=[O:31])[CH2:5][CH2:4][CH2:8][N:28]2[CH:12]=[C:20]([CH2:15][O:32][C@H:23]1[CH2:13][N:27]([CH3:3])[CH2:11][C:19]1=[CH:9][C:22]3=[C:21]([CH:7]=[CH:6]1)[O:33][CH2:16][O:34]3)[N:25]=[N:26]2
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:96002
chebi:96002
ZLSVBQPGKZIPOU-STSQHVNTSA-N
(8R,9R)-9-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-[(2S)-1-hydroxypropan-2-yl]-8-methyl-10-oxa-1,6,13,14-tetrazabicyclo[10.2.1]pentadeca-12(15),13-dien-5-one