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LSM-11689

PropertiesImage
MNX_IDMNXM528337 Image of MNXM528337
referencechebi:100314
formulaC29H33ClN2O5S
global charge0
mol weight557.112
InChIKeySHOKCNHESYLQAS-GGJMMHKRSA-N
InChIInChI=1S/C29H33ClN2O5S/c1-20-16-32(21(2)18-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-37-28(20)17-31(3)38(35,36)24-14-12-23(30)13-15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m1/s1
SMILESC[C@@H]1CN([C@@H](C)CO)C(=O)C2=CC=CC=C2C2=CC=CC=C2CO[C@H]1CN(C)S(=O)(=O)C1=CC=C(Cl)C=C1
MNX internals
InChI (mnx)InChI=1/C29H33ClN2O5S/c1-20-16-32(21(2)18-33)29(34)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-37-28(20)17-31(3)38(35,36)24-14-12-23(30)13-15-24/h4-15,20-21,28,33H,16-19H2,1-3H3/t20-,21+,28+/m1/s1 Image of MNXM528337
SMILES (mnx)[CH3:1][C@@H:20]1[CH2:16][N:32]([C@@H:21]([CH3:2])[CH2:18][OH:33])[C:29](=[O:34])[C:27]2=[CH:11][CH:7]=[CH:6][CH:10]=[C:26]2[C:25]2=[CH:9][CH:5]=[CH:4][CH:8]=[C:22]2[CH2:19][O:37][C@H:28]1[CH2:17][N:31]([CH3:3])[S:38]([C:24]1=[CH:15][CH:13]=[C:23]([Cl:30])[CH:12]=[CH:14]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:100314
chebi:100314
SHOKCNHESYLQAS-GGJMMHKRSA-N 		LSM-11689