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NSN

Summary
Name:N~2~-(2-AMINO-1-METHYL-2-OXOETHYLIDENE)ASPARAGINATE
Formula:C7 H11 N3 O4
Formal charge:0
Formula weight:201.18 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S)-4-amino-3-{[(1E)-2-amino-1-methyl-2-oxoethylidene]ammonio}-4-oxobutanoate
OpenEye OEToolkits1.5.0(3S)-4-amino-3-(1-amino-1-oxo-propan-2-ylidene)azaniumyl-4-oxo-butanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04[O-]C(=O)CC(/[NH+]=C(/C(=O)N)C)C(=O)N
SMILES_CANONICALCACTVS3.341CC(=[NH+][C@@H](CC([O-])=O)C(N)=O)C(N)=O
SMILESCACTVS3.341CC(=[NH+][CH](CC([O-])=O)C(N)=O)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(=[NH+][C@@H](CC(=O)[O-])C(=O)N)C(=O)N
SMILESOpenEye OEToolkits1.5.0CC(=[NH+]C(CC(=O)[O-])C(=O)N)C(=O)N
InChIInChI1.03InChI=1S/C7H11N3O4/c1-3(6(8)13)10-4(7(9)14)2-5(11)12/h4H,2H2,1H3,(H2,8,13)(H2,9,14)(H,11,12)/b10-3+/t4-/m0/s1
InChIKeyInChI1.03YZKQNDLOQTXCHV-BNTYAIEMSA-N

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PDB entries from 2024-07-10

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