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GF1

Summary
Name:(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid
Formula:C12 H15 N O4
Formal charge:0
Formula weight:237.252 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2S)-2-[(3aR,4R,7S,7aS)-1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(N2C(=O)C3C1CCC(C1)C3C2=O)C
SMILES_CANONICALCACTVS3.341C[C@H](N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O)C(O)=O
SMILESCACTVS3.341C[CH](N1C(=O)[CH]2[CH]3CC[CH](C3)[CH]2C1=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](C(=O)O)N1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O
SMILESOpenEye OEToolkits1.5.0CC(C(=O)O)N1C(=O)C2C3CCC(C3)C2C1=O
InChIInChI1.03InChI=1S/C12H15NO4/c1-5(12(16)17)13-10(14)8-6-2-3-7(4-6)9(8)11(13)15/h5-9H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,8-,9+/m0/s1
InChIKeyInChI1.03REFMTLIXGKZVDF-VRGHQRLXSA-N

246704

PDB entries from 2025-12-24

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