(2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid; N-(4-hydroxyphenyl)ethanamide

Systemtic Name: (2S)-2-azanyl-3-(1H-indol-3-yl)propanoic acid; N-(4-hydroxyphenyl)ethanamide Openeye Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; N-(4-hydroxyphenyl)acetamide CAS Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; N-(4-hydroxyphenyl)acetamide IUPAC Name: (2S)-2-amino-3-(1H-indol-3-yl)propanoic acid; N-(4-hydroxyphenyl)acetamide Traditional Name: (2S)-2-amino-3-(1H-indol-3-yl)propionic acid; N-(4-hydroxyphenyl)acetamide Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)O.C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)O.C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)N

InChI

InChI=1S/C11H12N2O2.C8H9NO2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10;1-6(10)9-7-2-4-8(11)5-3-7/h1-4,6,9,13H,5,12H2,(H,14,15);2-5,11H,1H3,(H,9,10)/t9-;/m0./s1