2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(1-methoxy-4-methyl-1-oxidanylidene-pentan-2-yl)-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[(1-methoxycarbonyl-3-methyl-butyl)-(2-methyl-3-sulfanyl-propanoyl)amino]acetic acid CAS Name: 2-[(3-mercapto-2-methyl-1-oxopropyl)-(1-methoxy-4-methyl-1-oxopentan-2-yl)amino]acetic acid IUPAC Name: 2-[(1-methoxy-4-methyl-1-oxopentan-2-yl)-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-[(1-carbomethoxy-3-methyl-butyl)-(3-mercapto-2-methyl-propanoyl)amino]acetic acid Formula: C13H23NO5S MolecularWeight: 305.39042

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)N(CC(=O)O)C(=O)C(C)CS

Isomeric SMILES

CC(C)CC(C(=O)OC)N(CC(=O)O)C(=O)C(C)CS

InChI

InChI=1S/C13H23NO5S/c1-8(2)5-10(13(18)19-4)14(6-11(15)16)12(17)9(3)7-20/h8-10,20H,5-7H2,1-4H3,(H,15,16)