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A1A5E

Summary
Name:(2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid
Formula:C14 H16 N2 O4
Formal charge:0
Formula weight:276.288 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs14.52(2S)-2-methyl-3-[(2-oxo-1,2,3,4-tetrahydroquinoline-6-carbonyl)amino]propanoic acid
OpenEye OEToolkits3.1.0.0(2~{S})-2-methyl-3-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)carbonylamino]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52O=C(O)C(C)CNC(=O)c1ccc2NC(=O)CCc2c1
InChIInChI1.06InChI=1S/C14H16N2O4/c1-8(14(19)20)7-15-13(18)10-2-4-11-9(6-10)3-5-12(17)16-11/h2,4,6,8H,3,5,7H2,1H3,(H,15,18)(H,16,17)(H,19,20)/t8-/m0/s1
InChIKeyInChI1.06KEZSUZCBIFWAEA-QMMMGPOBSA-N
SMILES_CANONICALCACTVS3.385C[C@@H](CNC(=O)c1ccc2NC(=O)CCc2c1)C(O)=O
SMILESCACTVS3.385C[CH](CNC(=O)c1ccc2NC(=O)CCc2c1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits3.1.0.0C[C@@H](CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O
SMILESOpenEye OEToolkits3.1.0.0CC(CNC(=O)c1ccc2c(c1)CCC(=O)N2)C(=O)O

238582

PDB entries from 2025-07-09

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