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LSM-14624

PropertiesImage
MNX_IDMNXM528900 Image of MNXM528900
referencechebi:103280
formulaC23H26N2O6S
global charge0
mol weight458.536
InChIKeyJDXNLCPGROUHQS-PBASOCQRSA-N
InChIInChI=1S/C23H26N2O6S/c1-4-6-15-9-10-18-21-20(23(28)31-3)17(13-26)19(12-24(18)22(15)27)25(21)32(29,30)16-8-5-7-14(2)11-16/h4-11,17,19-21,26H,12-13H2,1-3H3/t17-,19-,20+,21+/m1/s1
SMILESCC=CC1=CC=C2[C@H]3[C@@H](C(=O)OC)[C@H](CO)[C@@H](CN2C1=O)N3S(=O)(=O)C1=CC=CC(C)=C1
MNX internals
InChI (mnx)InChI=1/C23H26N2O6S/c1-4-6-15-9-10-18-21-20(23(28)31-3)17(13-26)19(12-24(18)22(15)27)25(21)32(29,30)16-8-5-7-14(2)11-16/h4-11,17,19-21,26H,12-13H2,1-3H3/b6-4?/t17-,19-,20+,21+/m1/s1 Image of MNXM528900
SMILES (mnx)[CH3:1][CH:4]=[CH:6][C:15]1=[CH:9][CH:10]=[C:18]2[C@H:21]3[C@@H:20]([C:23](=[O:28])[O:31][CH3:3])[C@H:17]([CH2:13][OH:26])[C@@H:19]([CH2:12][N:24]2[C:22]1=[O:27])[N:25]3[S:32]([C:16]1=[CH:8][CH:5]=[CH:7][C:14]([CH3:2])=[CH:11]1)(=[O:29])=[O:30]
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:103280
chebi:103280
JDXNLCPGROUHQS-PBASOCQRSA-N 		LSM-14624