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

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-azanyl-3-methyl-butanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-methyl-butanoic acid; 2-amino-4-methylsulfanyl-butanoic acid CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-methylbutanoic acid; 2-amino-4-(methylthio)butanoic acid IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-methylbutanoic acid; 2-amino-4-methylsulfanylbutanoic acid Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; 2-amino-3-methyl-butyric acid; 2-amino-4-(methylthio)butyric acid Formula: C21H34N4O6S MolecularWeight: 470.58286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)N.CSCCC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)O)N.CSCCC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChI

InChI=1S/C11H12N2O2.C5H11NO2S.C5H11NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-9-3-2-4(6)5(7)8;1-3(2)4(6)5(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);4H,2-3,6H2,1H3,(H,7,8);3-4H,6H2,1-2H3,(H,7,8)