3-pyridin-3-ylpropyl 2-[(3,3-dimethyl-2-oxidanylidene-pentanoyl)-(2-sulfanylethyl)amino]ethanoate

Systemtic Name: 3-pyridin-3-ylpropyl 2-[(3,3-dimethyl-2-oxidanylidene-pentanoyl)-(2-sulfanylethyl)amino]ethanoate Openeye Name: 3-(3-pyridyl)propyl 2-[(3,3-dimethyl-2-oxo-pentanoyl)-(2-sulfanylethyl)amino]acetate CAS Name: 2-[(3,3-dimethyl-1,2-dioxopentyl)-(2-mercaptoethyl)amino]acetic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-[(3,3-dimethyl-2-oxopentanoyl)-(2-sulfanylethyl)amino]acetate Traditional Name: 2-[(2-keto-3,3-dimethyl-pentanoyl)-(2-mercaptoethyl)amino]acetic acid 3-(3-pyridyl)propyl ester Formula: C19H28N2O4S MolecularWeight: 380.50162

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)C(=O)N(CCS)CC(=O)OCCCC1=CN=CC=C1

Isomeric SMILES

CCC(C)(C)C(=O)C(=O)N(CCS)CC(=O)OCCCC1=CN=CC=C1

InChI

InChI=1S/C19H28N2O4S/c1-4-19(2,3)17(23)18(24)21(10-12-26)14-16(22)25-11-6-8-15-7-5-9-20-13-15/h5,7,9,13,26H,4,6,8,10-12,14H2,1-3H3