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3N5

Summary
Name:(2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid
Formula:C17 H15 N O4
Formal charge:0
Formula weight:297.305 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2R)-1-[(benzyloxy)carbonyl]-2,3-dihydro-1H-indole-2-carboxylic acid
OpenEye OEToolkits1.7.0(2R)-1-phenylmethoxycarbonyl-2,3-dihydroindole-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C2N(c1ccccc1C2)C(=O)OCc3ccccc3
SMILES_CANONICALCACTVS3.370OC(=O)[C@H]1Cc2ccccc2N1C(=O)OCc3ccccc3
SMILESCACTVS3.370OC(=O)[CH]1Cc2ccccc2N1C(=O)OCc3ccccc3
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)COC(=O)N2c3ccccc3C[C@@H]2C(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)COC(=O)N2c3ccccc3CC2C(=O)O
InChIInChI1.03InChI=1S/C17H15NO4/c19-16(20)15-10-13-8-4-5-9-14(13)18(15)17(21)22-11-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,19,20)/t15-/m1/s1
InChIKeyInChI1.03BSOYWTITVKXHLM-OAHLLOKOSA-N

224572

PDB entries from 2024-09-04

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