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9U6

Summary
Name:3-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine
Formula:C13 H18 N2 O4 Se
Formal charge:0
Formula weight:345.253 Da
Component type:peptide linking

Chemical Identifiers

ProgramVersionName
ACDLabs12.013-[(2-{[(benzyloxy)carbonyl]amino}ethyl)selanyl]-L-alanine
OpenEye OEToolkits2.0.6(2~{R})-2-azanyl-3-[2-(phenylmethoxycarbonylamino)ethylselanyl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1(COC(=O)NCC[Se]CC(C(O)=O)N)ccccc1
InChIInChI1.03InChI=1S/C13H18N2O4Se/c14-11(12(16)17)9-20-7-6-15-13(18)19-8-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2,(H,15,18)(H,16,17)/t11-/m0/s1
InChIKeyInChI1.03JNNNCAOHWXXURB-NSHDSACASA-N
SMILES_CANONICALCACTVS3.385N[C@@H](C[Se]CCNC(=O)OCc1ccccc1)C(O)=O
SMILESCACTVS3.385N[CH](C[Se]CCNC(=O)OCc1ccccc1)C(O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1ccc(cc1)COC(=O)NCC[Se]C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits2.0.6c1ccc(cc1)COC(=O)NCC[Se]CC(C(=O)O)N

218500

数据于2024-04-17公开中

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