2-azanyl-4-methylsulfanyl-butanoic acid; 2-(naphthalen-1-ylamino)propanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 2-(naphthalen-1-ylamino)propanoic acid Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 2-(1-naphthylamino)propanoic acid CAS Name: 2-amino-4-(methylthio)butanoic acid; 2-(1-naphthalenylamino)propanoic acid IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 2-(naphthalen-1-ylamino)propanoic acid Traditional Name: 2-amino-4-(methylthio)butyric acid; 2-(1-naphthylamino)propionic acid Formula: C18H24N2O4S MolecularWeight: 364.45916

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)NC1=CC=CC2=CC=CC=C21.CSCCC(C(=O)O)N

Isomeric SMILES

CC(C(=O)O)NC1=CC=CC2=CC=CC=C21.CSCCC(C(=O)O)N

InChI

InChI=1S/C13H13NO2.C5H11NO2S/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12;1-9-3-2-4(6)5(7)8/h2-9,14H,1H3,(H,15,16);4H,2-3,6H2,1H3,(H,7,8)