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LSM-15153

PropertiesImage
MNX_IDMNXM528961 Image of MNXM528961
referencechebi:103809
formulaC24H38N2O5S
global charge0
mol weight466.644
InChIKeyPJAYKLYFYLNPHZ-DNVFCKCGSA-N
InChIInChI=1S/C24H38N2O5S/c1-5-6-20-7-8-24-22(13-20)31-23(16-25(4)15-21-9-11-30-12-10-21)18(2)14-26(19(3)17-27)32(24,28)29/h5-8,13,18-19,21,23,27H,9-12,14-17H2,1-4H3/t18-,19-,23-/m1/s1
SMILESCC=CC1=CC2=C(C=C1)S(=O)(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)CC1CCOCC1)O2
MNX internals
InChI (mnx)InChI=1/C24H38N2O5S/c1-5-6-20-7-8-24-22(13-20)31-23(16-25(4)15-21-9-11-30-12-10-21)18(2)14-26(19(3)17-27)32(24,28)29/h5-8,13,18-19,21,23,27H,9-12,14-17H2,1-4H3/b6-5?/t18-,19-,23-/m1/s1 Image of MNXM528961
SMILES (mnx)[CH3:1][CH:5]=[CH:6][C:20]1=[CH:13][C:22]2=[C:24]([CH:8]=[CH:7]1)[S:32](=[O:28])(=[O:29])[N:26]([C@H:19]([CH3:3])[CH2:17][OH:27])[CH2:14][C@@H:18]([CH3:2])[C@@H:23]([CH2:16][N:25]([CH3:4])[CH2:15][CH:21]1[CH2:9][CH2:11][O:30][CH2:12][CH2:10]1)[O:31]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:103809
chebi:103809
PJAYKLYFYLNPHZ-DNVFCKCGSA-N 		LSM-15153