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LSM-10130

PropertiesImage
MNX_IDMNXM528064 Image of MNXM528064
referencechebi:98751
formulaC21H24N4O4S
global charge0
mol weight428.514
InChIKeyWZQJIBXYFKEECF-OXXUSNJHSA-N
InChIInChI=1S/C21H24N4O4S/c26-11-13-15-10-24-14(6-3-7-16(24)27)18(25(15)20(29)12-4-1-2-5-12)17(13)19(28)23-21-22-8-9-30-21/h3,6-9,12-13,15,17-18,26H,1-2,4-5,10-11H2,(H,22,23,28)/t13-,15-,17+,18+/m0/s1
SMILESO=C(NC1=NC=CS1)[C@@H]1[C@@H](CO)[C@@H]2CN3C(=O)C=CC=C3[C@H]1N2C(=O)C1CCCC1
MNX internals
InChI (mnx)InChI=1/C21H24N4O4S/c26-11-13-15-10-24-14(6-3-7-16(24)27)18(25(15)20(29)12-4-1-2-5-12)17(13)19(28)23-21-22-8-9-30-21/h3,6-9,12-13,15,17-18,26H,1-2,4-5,10-11H2,(H,22,23,28)/t13-,15-,17+,18+/m0/s1 Image of MNXM528064
SMILES (mnx)[CH2:1]1[CH2:2][CH2:5][CH:12]([C:20]([N:25]2[C@H:15]3[CH2:10][N:24]4[C:14](=[CH:6][CH:3]=[CH:7][C:16]4=[O:27])[C@@H:18]2[C@H:17]([C:19](=[N:23][C:21]2=[N:22][CH:8]=[CH:9][S:30]2)[OH:28])[C@H:13]3[CH2:11][OH:26])=[O:29])[CH2:4]1
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:98751
chebi:98751
WZQJIBXYFKEECF-OXXUSNJHSA-N 		LSM-10130