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alanycarb

PropertiesImage
MNX_IDMNXM40512 Image of MNXM40512
referencechebi:38463
formulaC17H25N3O4S2
global charge0
mol weight399.538
InChIKeyGMAUQNJOSOMMHI-JXAWBTAJSA-N
InChIInChI=1S/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14-
SMILESCCOC(=O)CCN(CC1=CC=CC=C1)SN(C)C(=O)O/N=C(/C)SC
MNX internals
InChI (mnx)InChI=1/C17H25N3O4S2/c1-5-23-16(21)11-12-20(13-15-9-7-6-8-10-15)26-19(3)17(22)24-18-14(2)25-4/h6-10H,5,11-13H2,1-4H3/b18-14- Image of MNXM40512
SMILES (mnx)[CH3:1][CH2:5][O:23][C:16]([CH2:11][CH2:12][N:20]([CH2:13][C:15]1=[CH:9][CH:7]=[CH:6][CH:8]=[CH:10]1)[S:26][N:19]([CH3:3])[C:17](=[O:22])[O:24]/[N:18]=[C:14](/[CH3:2])[S:25][CH3:4])=[O:21]
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:38463
chebi:38463
GMAUQNJOSOMMHI-JXAWBTAJSA-N 		alanycarb
ethyl (3Z)-9-benzyl-3,7-dimethyl-6-oxo-5-oxa-2,8-dithia-4,7,9-triazadodec-3-en-12-oate
ethyl N-benzyl-N-({methyl[({[(1Z)-1-(methylsulfanyl)ethylidene]amino}oxy)carbonyl]amino}sulfanyl)-beta-alaninate

seed.compound:cpd19678
seedM:cpd19678
kegg.compound:C18414
keggC:C18414
GMAUQNJOSOMMHI-JXAWBTAJSA-N 		Alanycarb

keggC:M_C18414
seedM:M_cpd19678 		secondary/obsolete/fantasy identifier