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NX6

Summary
Name:N-[(benzyloxy)carbonyl]-L-aspartic acid
Formula:C12 H13 N O6
Formal charge:0
Formula weight:267.235 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(benzyloxy)carbonyl]-L-aspartic acid
OpenEye OEToolkits1.7.0(2S)-2-(phenylmethoxycarbonylamino)butanedioic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NC(=O)OCc1ccccc1)CC(=O)O
SMILES_CANONICALCACTVS3.370OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(O)=O
SMILESCACTVS3.370OC(=O)C[CH](NC(=O)OCc1ccccc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)COC(=O)N[C@@H](CC(=O)O)C(=O)O
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)COC(=O)NC(CC(=O)O)C(=O)O
InChIInChI1.03InChI=1S/C12H13NO6/c14-10(15)6-9(11(16)17)13-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,18)(H,14,15)(H,16,17)/t9-/m0/s1
InChIKeyInChI1.03XYXYXSKSTZAEJW-VIFPVBQESA-N

222415

数据于2024-07-10公开中

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