2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid; 7H-purin-6-amine

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-azanyl-4-methylsulfanyl-butanoic acid; 7H-purin-6-amine Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-4-methylsulfanyl-butanoic acid; 7H-purin-6-amine CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-4-(methylthio)butanoic acid; 7H-purin-6-amine IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-4-methylsulfanylbutanoic acid; 7H-purin-6-amine Traditional Name: 7H-adenine; 2-amino-3-(1H-indol-3-yl)propionic acid; 2-amino-4-(methylthio)butyric acid Formula: C21H28N8O4S MolecularWeight: 488.56322

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

CSCCC(C(=O)O)N.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C11H12N2O2.C5H5N5.C5H11NO2S/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;6-4-3-5(9-1-7-3)10-2-8-4;1-9-3-2-4(6)5(7)8/h1-4,6,9,13H,5,12H2,(H,14,15);1-2H,(H3,6,7,8,9,10);4H,2-3,6H2,1H3,(H,7,8)