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LSM-13208

PropertiesImage
MNX_IDMNXM528595 Image of MNXM528595
referencechebi:101846
formulaC30H36N2O6S
global charge0
mol weight552.693
InChIKeyGTRXSASKUSVSHJ-IHMCZWCLSA-N
InChIInChI=1S/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29+/m0/s1
SMILESCOC1=CC(S(=O)(=O)N(C)C[C@H]2OCC3=CC=CC=C3C3=CC=CC=C3C(=O)N([C@@H](C)CO)C[C@@H]2C)=CC=C1
MNX internals
InChI (mnx)InChI=1/C30H36N2O6S/c1-21-17-32(22(2)19-33)30(34)28-15-8-7-14-27(28)26-13-6-5-10-23(26)20-38-29(21)18-31(3)39(35,36)25-12-9-11-24(16-25)37-4/h5-16,21-22,29,33H,17-20H2,1-4H3/t21-,22-,29+/m0/s1 Image of MNXM528595
SMILES (mnx)[CH3:1][C@H:21]1[CH2:17][N:32]([C@@H:22]([CH3:2])[CH2:19][OH:33])[C:30](=[O:34])[C:28]2=[CH:15][CH:8]=[CH:7][CH:14]=[C:27]2[C:26]2=[CH:13][CH:6]=[CH:5][CH:10]=[C:23]2[CH2:20][O:38][C@@H:29]1[CH2:18][N:31]([CH3:3])[S:39]([C:25]1=[CH:12][CH:9]=[CH:11][C:24]([O:37][CH3:4])=[CH:16]1)(=[O:35])=[O:36]
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:101846
chebi:101846
GTRXSASKUSVSHJ-IHMCZWCLSA-N 		LSM-13208