3-[2-(2-sulfanylpropanoylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid

Systemtic Name: 3-[2-(2-sulfanylpropanoylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid Openeye Name: 3-[2-(2-sulfanylpropanoylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid CAS Name: 3-[2-[(2-mercapto-1-oxopropyl)amino]-1-oxopropyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid IUPAC Name: 3-[2-(2-sulfanylpropanoylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid Traditional Name: 3-[2-(2-mercaptopropanoylamino)propanoyl]-6,9-dioxa-3-azaspiro[4.4]nonane-2-carboxylic acid Formula: C13H20N2O6S MolecularWeight: 332.3727

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2(CC1C(=O)O)OCCO2)NC(=O)C(C)S

Isomeric SMILES

CC(C(=O)N1CC2(CC1C(=O)O)OCCO2)NC(=O)C(C)S

InChI

InChI=1S/C13H20N2O6S/c1-7(14-10(16)8(2)22)11(17)15-6-13(20-3-4-21-13)5-9(15)12(18)19/h7-9,22H,3-6H2,1-2H3,(H,14,16)(H,18,19)