2-[(3-azanyl-4-methoxy-2-methyl-4-oxidanylidene-butan-2-yl)sulfanylmethyl]-3-phenyl-propanoate

Systemtic Name: 2-[(3-azanyl-4-methoxy-2-methyl-4-oxidanylidene-butan-2-yl)sulfanylmethyl]-3-phenyl-propanoate Openeye Name: 2-[(2-amino-3-methoxy-1,1-dimethyl-3-oxo-propyl)sulfanylmethyl]-3-phenyl-propanoate CAS Name: 2-[[(3-amino-4-methoxy-2-methyl-4-oxobutan-2-yl)thio]methyl]-3-phenylpropanoate IUPAC Name: 2-[(3-amino-4-methoxy-2-methyl-4-oxobutan-2-yl)sulfanylmethyl]-3-phenylpropanoate Traditional Name: 2-[[(2-amino-3-keto-3-methoxy-1,1-dimethyl-propyl)thio]methyl]-3-phenyl-propionate Formula: C16H22NO4S- MolecularWeight: 324.41518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)OC)N)SCC(CC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C(C(=O)OC)N)SCC(CC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C16H23NO4S/c1-16(2,13(17)15(20)21-3)22-10-12(14(18)19)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10,17H2,1-3H3,(H,18,19)/p-1