Search MNXref
 Feedback

LSM-30705

PropertiesImage
MNX_IDMNXM529451 Image of MNXM529451
referencechebi:119256
formulaC33H39N3O5S
global charge0
mol weight589.758
InChIKeyIXIIOBNDFUZJEW-CTVOUCONSA-N
InChIInChI=1S/C33H39N3O5S/c1-22-12-6-11-17-30(22)42(39,40)34(4)19-29-23(2)18-36(24(3)20-37)33(38)32-31(26-14-8-7-13-25(26)21-41-29)27-15-9-10-16-28(27)35(32)5/h6-17,23-24,29,37H,18-21H2,1-5H3/t23-,24+,29+/m0/s1
SMILESCC1=CC=CC=C1S(=O)(=O)N(C)C[C@H]1OCC2=CC=CC=C2C2=C(C(=O)N([C@H](C)CO)C[C@@H]1C)N(C)C1=CC=CC=C12
MNX internals
InChI (mnx)InChI=1/C33H39N3O5S/c1-22-12-6-11-17-30(22)42(39,40)34(4)19-29-23(2)18-36(24(3)20-37)33(38)32-31(26-14-8-7-13-25(26)21-41-29)27-15-9-10-16-28(27)35(32)5/h6-17,23-24,29,37H,18-21H2,1-5H3/t23-,24+,29+/m0/s1 Image of MNXM529451
SMILES (mnx)[CH3:1][C:22]1=[CH:12][CH:6]=[CH:11][CH:17]=[C:30]1[S:42]([N:34]([CH3:4])[CH2:19][C@@H:29]1[C@@H:23]([CH3:2])[CH2:18][N:36]([C@H:24]([CH3:3])[CH2:20][OH:37])[C:33](=[O:38])[C:32]2=[C:31]([C:26]3=[CH:14][CH:8]=[CH:7][CH:13]=[C:25]3[CH2:21][O:41]1)[C:27]1=[CH:15][CH:9]=[CH:10][CH:16]=[C:28]1[N:35]2[CH3:5])(=[O:39])=[O:40]
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:119256
chebi:119256
IXIIOBNDFUZJEW-CTVOUCONSA-N 		LSM-30705