2-azanyl-4-methylsulfanyl-butanoic acid; 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid

Systemtic Name: 2-azanyl-4-methylsulfanyl-butanoic acid; 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid Openeye Name: 2-amino-4-methylsulfanyl-butanoic acid; 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid CAS Name: 2-amino-4-(methylthio)butanoic acid; 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid IUPAC Name: 2-amino-4-methylsulfanylbutanoic acid; 3-(1H-indol-3-yl)-2-(methylamino)propanoic acid Traditional Name: 2-amino-4-(methylthio)butyric acid; 3-(1H-indol-3-yl)-2-(methylamino)propionic acid Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CNC(CC1=CNC2=CC=CC=C21)C(=O)O.CSCCC(C(=O)O)N

Isomeric SMILES

CNC(CC1=CNC2=CC=CC=C21)C(=O)O.CSCCC(C(=O)O)N

InChI

InChI=1S/C12H14N2O2.C5H11NO2S/c1-13-11(12(15)16)6-8-7-14-10-5-3-2-4-9(8)10;1-9-3-2-4(6)5(7)8/h2-5,7,11,13-14H,6H2,1H3,(H,15,16);4H,2-3,6H2,1H3,(H,7,8)