3-(2-cyano-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: 3-(2-cyano-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-(2-cyano-1H-indol-3-yl)propanoic acid CAS Name: 3-(2-cyano-1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: 3-(2-cyano-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-(2-cyano-1H-indol-3-yl)propionic acid Formula: C17H19N3O4 MolecularWeight: 329.35046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(NC2=CC=CC=C21)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=C(NC2=CC=CC=C21)C#N)C(=O)O

InChI

InChI=1S/C17H19N3O4/c1-17(2,3)24-16(23)20-13(15(21)22)8-11-10-6-4-5-7-12(10)19-14(11)9-18/h4-7,13,19H,8H2,1-3H3,(H,20,23)(H,21,22)