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LSM-39628

PropertiesImage
MNX_IDMNXM530119 Image of MNXM530119
referencechebi:128072
formulaC27H30N2O3S2
global charge0
mol weight494.682
InChIKeyDTWGTGRILLYOKN-WEWMWRJBSA-N
InChIInChI=1S/C27H30N2O3S2/c30-20-25-27(23-14-12-22(13-15-23)11-10-21-7-2-1-3-8-21)24-19-28(16-4-5-17-29(24)25)34(31,32)26-9-6-18-33-26/h1-3,6-15,18,24-25,27,30H,4-5,16-17,19-20H2/t24-,25+,27-/m0/s1
SMILESO=S(=O)(C1=CC=CS1)N1CCCCN2[C@H](CO)[C@@H](C3=CC=C(C=CC4=CC=CC=C4)C=C3)[C@@H]2C1
MNX internals
InChI (mnx)InChI=1/C27H30N2O3S2/c30-20-25-27(23-14-12-22(13-15-23)11-10-21-7-2-1-3-8-21)24-19-28(16-4-5-17-29(24)25)34(31,32)26-9-6-18-33-26/h1-3,6-15,18,24-25,27,30H,4-5,16-17,19-20H2/b11-10?/t24-,25+,27-/m0/s1 Image of MNXM530119
SMILES (mnx)[CH:1]1=[CH:2][CH:7]=[C:21]([CH:10]=[CH:11][C:22]2=[CH:13][CH:15]=[C:23]([C@H:27]3[C@@H:24]4[CH2:19][N:28]([S:34]([C:26]5=[CH:9][CH:6]=[CH:18][S:33]5)(=[O:31])=[O:32])[CH2:16][CH2:4][CH2:5][CH2:17][N:29]4[C@@H:25]3[CH2:20][OH:30])[CH:14]=[CH:12]2)[CH:8]=[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:128072
chebi:128072
DTWGTGRILLYOKN-WEWMWRJBSA-N 		LSM-39628