2-[(1-ethylpyrrolidin-2-yl)methyl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid

Systemtic Name: 2-[(1-ethylpyrrolidin-2-yl)methyl-(2-methyl-3-sulfanyl-propanoyl)amino]ethanoic acid Openeye Name: 2-[(1-ethylpyrrolidin-2-yl)methyl-(2-methyl-3-sulfanyl-propanoyl)amino]acetic acid CAS Name: 2-[(1-ethyl-2-pyrrolidinyl)methyl-(3-mercapto-2-methyl-1-oxopropyl)amino]acetic acid IUPAC Name: 2-[(1-ethylpyrrolidin-2-yl)methyl-(2-methyl-3-sulfanylpropanoyl)amino]acetic acid Traditional Name: 2-[(1-ethylpyrrolidin-2-yl)methyl-(3-mercapto-2-methyl-propanoyl)amino]acetic acid Formula: C13H24N2O3S MolecularWeight: 288.40626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CN(CC(=O)O)C(=O)C(C)CS

Isomeric SMILES

CCN1CCCC1CN(CC(=O)O)C(=O)C(C)CS

InChI

InChI=1S/C13H24N2O3S/c1-3-14-6-4-5-11(14)7-15(8-12(16)17)13(18)10(2)9-19/h10-11,19H,3-9H2,1-2H3,(H,16,17)