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4DP

Summary
Name:3-[5-(DIMETHYLAMINO)-1,3-DIOXO-1,3-DIHYDRO-2H-ISOINDOL-2-YL]-L-ALANINE
Synonyms:4-(N,N-DIMETHYLAMINO)PHTHALIMIDOALANYL
DAPA
Formula:C13 H15 N3 O4
Formal charge:0
Formula weight:277.276 Da
Component type:L-PEPTIDE LINKING

Chemical Identifiers

ProgramVersionName
ACDLabs10.043-[5-(dimethylamino)-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl]-L-alanine
OpenEye OEToolkits1.5.0(2S)-2-amino-3-(5-dimethylamino-1,3-dioxo-isoindol-2-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N)CN2C(=O)c1ccc(cc1C2=O)N(C)C
SMILES_CANONICALCACTVS3.341CN(C)c1ccc2C(=O)N(C[C@H](N)C(O)=O)C(=O)c2c1
SMILESCACTVS3.341CN(C)c1ccc2C(=O)N(C[CH](N)C(O)=O)C(=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.5.0CN(C)c1ccc2c(c1)C(=O)N(C2=O)C[C@@H](C(=O)O)N
SMILESOpenEye OEToolkits1.5.0CN(C)c1ccc2c(c1)C(=O)N(C2=O)CC(C(=O)O)N
InChIInChI1.03InChI=1S/C13H15N3O4/c1-15(2)7-3-4-8-9(5-7)12(18)16(11(8)17)6-10(14)13(19)20/h3-5,10H,6,14H2,1-2H3,(H,19,20)/t10-/m0/s1
InChIKeyInChI1.03NLRIIORQBUXJMD-JTQLQIEISA-N

218853

PDB entries from 2024-04-24

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