2-azanyl-3-[(3-oxidanylidenebutanoylamino)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(3-oxidanylidenebutanoylamino)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(3-oxobutanoylamino)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(1,3-dioxobutylamino)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(3-oxobutanoylamino)methylsulfanyl]propanoic acid Traditional Name: 3-[(acetoacetylamino)methylthio]-2-amino-propionic acid Formula: C8H14N2O4S MolecularWeight: 234.27276

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)NCSCC(C(=O)O)N

Isomeric SMILES

CC(=O)CC(=O)NCSCC(C(=O)O)N

InChI

InChI=1S/C8H14N2O4S/c1-5(11)2-7(12)10-4-15-3-6(9)8(13)14/h6H,2-4,9H2,1H3,(H,10,12)(H,13,14)