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UDS

Summary
Name:N-[(3-HYDROXYQUINOLIN-2-YL)CARBONYL]-D-SERINE
Formula:C13 H12 N2 O5
Formal charge:0
Formula weight:276.245 Da
Component type:D-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-[(3-hydroxyquinolin-2-yl)carbonyl]-D-serine
OpenEye OEToolkits1.6.1(2R)-3-hydroxy-2-[(3-hydroxyquinolin-2-yl)carbonylamino]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(NC(=O)c1nc2ccccc2cc1O)CO
SMILES_CANONICALCACTVS3.352OC[C@@H](NC(=O)c1nc2ccccc2cc1O)C(O)=O
SMILESCACTVS3.352OC[CH](NC(=O)c1nc2ccccc2cc1O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.6.1c1ccc2c(c1)cc(c(n2)C(=O)N[C@H](CO)C(=O)O)O
SMILESOpenEye OEToolkits1.6.1c1ccc2c(c1)cc(c(n2)C(=O)NC(CO)C(=O)O)O
InChIInChI1.03InChI=1S/C13H12N2O5/c16-6-9(13(19)20)15-12(18)11-10(17)5-7-3-1-2-4-8(7)14-11/h1-5,9,16-17H,6H2,(H,15,18)(H,19,20)/t9-/m1/s1
InChIKeyInChI1.03BTUDZNSKPNNMTD-SECBINFHSA-N

222415

数据于2024-07-10公开中

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