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TRQ

Summary
Name:2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID
Formula:C11 H10 N2 O4
Formal charge:0
Formula weight:234.208 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-(6,7-dioxo-6,7-dihydro-1H-indol-3-yl)-L-alanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-(6,7-dioxo-1H-indol-3-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2
SMILES_CANONICALCACTVS3.341N[C@@H](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O
SMILESCACTVS3.341N[CH](Cc1c[nH]c2C(=O)C(=O)C=Cc12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0c1c(c2c([nH]1)C(=O)C(=O)C=C2)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0c1c(c2c([nH]1)C(=O)C(=O)C=C2)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1
InChIKeyInChI1.03QNXHRZBZDHLGQO-ZETCQYMHSA-N

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PDB entries from 2024-08-07

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