(2S)-2-azanyl-3-(1H-indol-3-yl)propanoate; 4-methylbenzenesulfonic acid

Systemtic Name: (2S)-2-azanyl-3-(1H-indol-3-yl)propanoate; 4-methylbenzenesulfonic acid Openeye Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoate; 4-methylbenzenesulfonic acid CAS Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoate; 4-methylbenzenesulfonic acid IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoate; 4-methylbenzenesulfonic acid Traditional Name: (2S)-2-amino-3-(1H-indol-3-yl)propionate; tosylic acid Formula: C18H19N2O5S- MolecularWeight: 375.41886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)[O-])N

InChI

InChI=1S/C11H12N2O2.C7H8O3S/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-6-2-4-7(5-3-6)11(8,9)10/h1-4,6,9,13H,5,12H2,(H,14,15);2-5H,1H3,(H,8,9,10)/p-1/t9-;/m0./s1