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LSM-15100

PropertiesImage
MNX_IDMNXM528958 Image of MNXM528958
referencechebi:103756
formulaC18H28N2O4S
global charge0
mol weight368.499
InChIKeyNUVSEORICCJOQH-JJRVBVJISA-N
InChIInChI=1S/C18H28N2O4S/c1-5-6-15-7-8-18-16(9-15)24-17(10-19-4)13(2)11-20(14(3)12-21)25(18,22)23/h5-9,13-14,17,19,21H,10-12H2,1-4H3/t13-,14+,17+/m0/s1
SMILESCC=CC1=CC2=C(C=C1)S(=O)(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CNC)O2
MNX internals
InChI (mnx)InChI=1/C18H28N2O4S/c1-5-6-15-7-8-18-16(9-15)24-17(10-19-4)13(2)11-20(14(3)12-21)25(18,22)23/h5-9,13-14,17,19,21H,10-12H2,1-4H3/b6-5?/t13-,14+,17+/m0/s1 Image of MNXM528958
SMILES (mnx)[CH3:1][CH:5]=[CH:6][C:15]1=[CH:9][C:16]2=[C:18]([CH:8]=[CH:7]1)[S:25](=[O:22])(=[O:23])[N:20]([C@H:14]([CH3:3])[CH2:12][OH:21])[CH2:11][C@H:13]([CH3:2])[C@@H:17]([CH2:10][NH:19][CH3:4])[O:24]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:103756
chebi:103756
NUVSEORICCJOQH-JJRVBVJISA-N 		LSM-15100