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LSM-12176

PropertiesImage
MNX_IDMNXM528424 Image of MNXM528424
referencechebi:100802
formulaC29H33FN2O5S
global charge0
mol weight540.657
InChIKeyQWRJLEHIBFFHOL-NOMHHCBYSA-N
InChIInChI=1S/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27+/m0/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=CC=C1F
MNX internals
InChI (mnx)InChI=1/C29H33FN2O5S/c1-20-16-32(21(2)18-33)29(34)25-13-7-6-12-24(25)23-11-5-4-10-22(23)19-37-27(20)17-31(3)38(35,36)28-15-9-8-14-26(28)30/h4-15,20-21,27,33H,16-19H2,1-3H3/t20-,21-,27+/m0/s1 Image of MNXM528424
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:25]2=[CH:13][CH:7]=[CH:6][CH:12]=[C:24]2[C:23]2=[CH:11][CH:5]=[CH:4][CH:10]=[C:22]2[CH2:19][O:37][C@@H:27]1[CH2:17][N:31]([CH3:3])[S:38]([C:28]1=[CH:15][CH:9]=[CH:8][CH:14]=[C:26]1[F:30])(=[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:100802
chebi:100802
QWRJLEHIBFFHOL-NOMHHCBYSA-N 		LSM-12176