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2-(glycyl-L-cystein-S-yl)-2-(1H-indol-3-yl)acetonitrile

PropertiesImage
MNX_IDMNXM11870 Image of MNXM11870
referencechebi:136832
formulaC15H16N4O3S
global charge0
mol weight332.385
InChIKeyKRSCQOPJLNSQDL-AMGKYWFPSA-N
InChIInChI=1S/C15H16N4O3S/c16-5-13(10-6-18-12-4-2-1-3-9(10)12)23-8-11(17)15(22)19-7-14(20)21/h1-4,6,11,13,18H,7-8,17H2,(H,19,22)(H,20,21)/t11-,13?/m0/s1
SMILESN#CC(SC[C@H]([NH3+])C(=O)NCC(=O)[O-])C1=CNC2=CC=CC=C21
MNX internals
InChI (mnx)InChI=1/C15H16N4O3S/c16-5-13(10-6-18-12-4-2-1-3-9(10)12)23-8-11(17)15(22)19-7-14(20)21/h1-4,6,11,13,18H,7-8,17H2,(H,19,22)(H,20,21)/t11-,13?/m0/s1 Image of MNXM11870
SMILES (mnx)[CH:1]1=[CH:2][CH:4]=[C:12]2[C:9](=[CH:3]1)[C:10]([CH:13]([C:5]#[N:16])[S:23][CH2:8][C@@H:11]([C:15](=[N:19][CH2:7][C:14](=[O:20])[OH:21])[OH:22])[NH2:17])=[CH:6][NH:18]2
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)4
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:136832
chebi:136832
KRSCQOPJLNSQDL-AMGKYWFPSA-N 		2-(glycyl-L-cystein-S-yl)-2-(1H-indol-3-yl)acetonitrile
Cys(IAN)-Gly zwitterion
L-Cys(IAN)-Gly zwitterion
{[(2R)-2-azaniumyl-3-{[cyano(1H-indol-3-yl)methyl]sulfanyl}propanoyl]amino}acetate

kegg.compound:C21665
keggC:C21665
KRSCQOPJLNSQDL-AMGKYWFPSA-N 		(L-Cysteinylglycine-S-yl)(1H-indol-3-yl)acetonitrile

metacyc.compound:CPD-12635
metacycM:CPD-12635
KRSCQOPJLNSQDL-AMGKYWFPSA-N 		(L-cysteinylglycin-S-yl)(1H-indol-3-yl)acetonitrile
GlyCys(IAN)
IAN-gamma-glycylcysteine conjugate

seed.compound:cpd23505
seedM:cpd23505
KRSCQOPJLNSQDL-AMGKYWFPSA-N 		2-amino-4-[(1-carboxy-2-{[cyano(1H-indol-3-yl)methyl]sulfanyl}ethyl)carbamoyl]butanoic acid
(L-cysteinylglycin-S-yl)(1H-indol-3-yl)acetonitrile
GlyCys(IAN)
IAN-gamma-glutamylcysteine conjugate
IAN-gamma-glycylcysteine conjugate
gammaGluCys(IAN)
indole-3-acetonitrile-gamma-glutamylcysteine conjugate

CHEBI:137676
chebi:137676
KRSCQOPJLNSQDL-AMGKYWFPSA-N 		Cys(IAN)-Gly
2-(glycyl--S-yl)-2-(1H-indol-3-yl)-acetonitrile
IAN-glycylcysteine conjugate
L-Cys(IAN)-Gly
S-[cyano(1H-indol-3-yl)methyl]-L-cysteinylglycine
S-[cyano(indol-3-yl)methyl]-L-cysteinylglycine
S-[cyano(indol-3-yl)methyl]cysteinylglycine
indole-3-acetonitrile-glycylcysteine conjugate

keggC:M_C21665
seedM:M_cpd23505 		secondary/obsolete/fantasy identifier