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alpha-N-Carbomethoxyacetyl-4-chloro-D-tryptophan

PropertiesImage
MNX_IDMNXM128375 Image of MNXM128375
referencehmdb:HMDB0301783
formulaC15H15ClN2O5
global charge0
mol weight338.747
InChIKeyITVFBZXHWIFZDX-LLVKDONJSA-N
InChIInChI=1S/C15H15ClN2O5/c1-23-13(20)6-12(19)18-11(15(21)22)5-8-7-17-10-4-2-3-9(16)14(8)10/h2-4,7,11,17H,5-6H2,1H3,(H,18,19)(H,21,22)/t11-/m1/s1
SMILESCOC(=O)CC(=O)N[C@H](CC1=CNC2=C1C(Cl)=CC=C2)C(=O)O
MNX internals
InChI (mnx)InChI=1/C15H15ClN2O5/c1-23-13(20)6-12(19)18-11(15(21)22)5-8-7-17-10-4-2-3-9(16)14(8)10/h2-4,7,11,17H,5-6H2,1H3,(H,18,19)(H,21,22)/t11-/m1/s1 Image of MNXM128375
SMILES (mnx)[CH3:1][O:23][C:13]([CH2:6][C:12](=[N:18][C@H:11]([CH2:5][C:8]1=[CH:7][NH:17][C:10]2=[CH:4][CH:2]=[CH:3][C:9]([Cl:16])=[C:14]12)[C:15](=[O:21])[OH:22])[OH:19])=[O:20]
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
hmdb:HMDB0301783
ITVFBZXHWIFZDX-LLVKDONJSA-N 		alpha-N-Carbomethoxyacetyl-4-chloro-D-tryptophan
(2R)-3-(4-chloro-1H-indol-3-yl)-2-(3-methoxy-3-oxopropanamido)propanoic acid
a-N-Carbomethoxyacetyl-4-chloro-D-tryptophan
alpha-N-carbomethoxyacetyl-4-chloro-D-tryptophan
hmdb:HMDB0030398
ITVFBZXHWIFZDX-UHFFFAOYSA-N 		N-(Carbomethoxyacetyl)-4-S-chlorotryptophan
3-(4-Chloro-1H-indol-3-yl)-2-[(1-hydroxy-3-methoxy-3-oxopropylidene)amino]propanoate
3-(4-chloro-1H-indol-3-yl)-2-[(Z)-(1-hydroxy-3-methoxy-3-oxopropylidene)amino]propanoic acid

CHEBI:140762
chebi:140762
ITVFBZXHWIFZDX-UHFFFAOYSA-N 		N-(carbomethoxyacetyl)-4-S-chlorotryptophan

hmdb:HMDB30398 		secondary/obsolete/fantasy identifier