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LSM-39159

PropertiesImage
MNX_IDMNXM530077 Image of MNXM530077
referencechebi:127602
formulaC19H30N2O4S
global charge0
mol weight382.526
InChIKeyKDXLDHVMUOGHJB-RLFYNMQTSA-N
InChIInChI=1S/C19H30N2O4S/c1-6-7-16-8-9-19-17(10-16)25-18(12-20(4)5)14(2)11-21(15(3)13-22)26(19,23)24/h6-10,14-15,18,22H,11-13H2,1-5H3/t14-,15-,18+/m0/s1
SMILESCC=CC1=CC2=C(C=C1)S(=O)(=O)N([C@@H](C)CO)C[C@H](C)[C@@H](CN(C)C)O2
MNX internals
InChI (mnx)InChI=1/C19H30N2O4S/c1-6-7-16-8-9-19-17(10-16)25-18(12-20(4)5)14(2)11-21(15(3)13-22)26(19,23)24/h6-10,14-15,18,22H,11-13H2,1-5H3/b7-6?/t14-,15-,18+/m0/s1 Image of MNXM530077
SMILES (mnx)[CH3:1][CH:6]=[CH:7][C:16]1=[CH:10][C:17]2=[C:19]([CH:9]=[CH:8]1)[S:26](=[O:23])(=[O:24])[N:21]([C@@H:15]([CH3:3])[CH2:13][OH:22])[CH2:11][C@H:14]([CH3:2])[C@@H:18]([CH2:12][N:20]([CH3:4])[CH3:5])[O:25]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:127602
chebi:127602
KDXLDHVMUOGHJB-RLFYNMQTSA-N 		LSM-39159