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OA-6129 E

PropertiesImage
MNX_IDMNXM65222 Image of MNXM65222
referencechebi:81043
formulaC21H35N3O8S
global charge0
mol weight489.591
InChIKeyNSMABMGRXUKVDE-IVCRCZCHSA-N
InChIInChI=1S/C21H35N3O8S/c1-20(2,10-25)16(27)17(28)23-6-5-13(26)22-7-8-33-12-9-11-14(21(3,4)32)18(29)24(11)15(12)19(30)31/h11-12,14-16,25,27,32H,5-10H2,1-4H3,(H,22,26)(H,23,28)(H,30,31)/t11-,12+,14+,15-,16+/m1/s1
SMILESCC(C)(O)[C@@H]1C(=O)N2[C@@H]1C[C@H](SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO)[C@@H]2C(=O)O
MNX internals
InChI (mnx)InChI=1/C21H35N3O8S/c1-20(2,10-25)16(27)17(28)23-6-5-13(26)22-7-8-33-12-9-11-14(21(3,4)32)18(29)24(11)15(12)19(30)31/h11-12,14-16,25,27,32H,5-10H2,1-4H3,(H,22,26)(H,23,28)(H,30,31)/t11-,12+,14+,15-,16+/m1/s1 Image of MNXM65222
SMILES (mnx)[CH3:1][C:20]([CH3:2])([CH2:10][OH:25])[C@H:16]([C:17](=[N:23][CH2:6][CH2:5][C:13](=[N:22][CH2:7][CH2:8][S:33][C@H:12]1[CH2:9][C@@H:11]2[C@H:14]([C:21]([CH3:3])([CH3:4])[OH:32])[C:18](=[O:29])[N:24]2[C@H:15]1[C:19](=[O:30])[OH:31])[OH:26])[OH:28])[OH:27]
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

seed.compound:cpd17510
seedM:cpd17510
CHEBI:81043
chebi:81043
kegg.compound:C17376
keggC:C17376
NSMABMGRXUKVDE-IVCRCZCHSA-M
NSMABMGRXUKVDE-IVCRCZCHSA-N 		OA-6129 E

keggC:M_C17376
seedM:M_cpd17510 		secondary/obsolete/fantasy identifier