2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-azanyl-3-sulfanyl-propanoic acid

Systemtic Name: 2-azanyl-3-(1H-indol-3-yl)propanoic acid; 2-azanyl-3-sulfanyl-propanoic acid Openeye Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-sulfanyl-propanoic acid CAS Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-mercaptopropanoic acid IUPAC Name: 2-amino-3-(1H-indol-3-yl)propanoic acid; 2-amino-3-sulfanylpropanoic acid Traditional Name: 2-amino-3-(1H-indol-3-yl)propionic acid; 2-amino-3-mercapto-propionic acid Formula: C17H26N4O6S2 MolecularWeight: 446.54154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N2O2.2C3H7NO2S/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;2*4-2(1-7)3(5)6/h1-4,6,9,13H,5,12H2,(H,14,15);2*2,7H,1,4H2,(H,5,6)