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

PropertiesImage
MNX_IDMNXM173650 Image of MNXM173650
referencechebi:96876
formulaC24H37N5O4
global charge0
mol weight459.591
InChIKeyGEARZFJDEYGDIT-SELNLUPBSA-N
InChIInChI=1S/C24H37N5O4/c1-18-13-28(19(2)16-30)24(31)9-6-10-29-21(12-25-26-29)17-33-23(18)15-27(3)14-20-7-5-8-22(11-20)32-4/h5,7-8,11-12,18-19,23,30H,6,9-10,13-17H2,1-4H3/t18-,19+,23-/m1/s1
SMILESCOC1=CC=CC(CN(C)C[C@H]2OCC3=CN=NN3CCCC(=O)N([C@@H](C)CO)C[C@H]2C)=C1
MNX internals
InChI (mnx)InChI=1/C24H37N5O4/c1-18-13-28(19(2)16-30)24(31)9-6-10-29-21(12-25-26-29)17-33-23(18)15-27(3)14-20-7-5-8-22(11-20)32-4/h5,7-8,11-12,18-19,23,30H,6,9-10,13-17H2,1-4H3/t18-,19+,23-/m1/s1 Image of MNXM173650
SMILES (mnx)[CH3:1][C@@H:18]1[CH2:13][N:28]([C@@H:19]([CH3:2])[CH2:16][OH:30])[C:24](=[O:31])[CH2:9][CH2:6][CH2:10][N:29]2[C:21](=[CH:12][N:25]=[N:26]2)[CH2:17][O:33][C@@H:23]1[CH2:15][N:27]([CH3:3])[CH2:14][C:20]1=[CH:11][C:22]([O:32][CH3:4])=[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:96876
chebi:96876
GEARZFJDEYGDIT-SELNLUPBSA-N
(8R,9S)-6-[(2S)-1-hydroxypropan-2-yl]-9-[[(3-methoxyphenyl)methyl-methylamino]methyl]-8-methyl-10-oxa-1,6,14,15-tetrazabicyclo[10.3.0]pentadeca-12,14-dien-5-one