2-(6-methoxynaphthalen-2-yl)propanoic acid; methyl 2-azanyl-3-methyl-3-sulfanyl-butanoate

Systemtic Name: 2-(6-methoxynaphthalen-2-yl)propanoic acid; methyl 2-azanyl-3-methyl-3-sulfanyl-butanoate Openeye Name: 2-(6-methoxy-2-naphthyl)propanoic acid; methyl 2-amino-3-methyl-3-sulfanyl-butanoate CAS Name: 2-amino-3-mercapto-3-methylbutanoic acid methyl ester; 2-(6-methoxy-2-naphthalenyl)propanoic acid IUPAC Name: 2-(6-methoxynaphthalen-2-yl)propanoic acid; methyl 2-amino-3-methyl-3-sulfanylbutanoate Traditional Name: 2-amino-3-mercapto-3-methyl-butyric acid methyl ester; 2-(6-methoxy-2-naphthyl)propionic acid Formula: C20H27NO5S MolecularWeight: 393.49708

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O.CC(C)(C(C(=O)OC)N)S

Isomeric SMILES

CC(C1=CC2=C(C=C1)C=C(C=C2)OC)C(=O)O.CC(C)(C(C(=O)OC)N)S

InChI

InChI=1S/C14H14O3.C6H13NO2S/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-6(2,10)4(7)5(8)9-3/h3-9H,1-2H3,(H,15,16);4,10H,7H2,1-3H3