(2S)-3-(5-fluoranyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(5-fluoranyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(5-fluoro-1H-indol-3-yl)propanoic acid CAS Name: (2S)-3-(5-fluoro-1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(5-fluoro-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(5-fluoro-1H-indol-3-yl)propionic acid Formula: C16H19FN2O4 MolecularWeight: 322.331463

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CNC2=C1C=C(C=C2)F)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=C1C=C(C=C2)F)C(=O)O

InChI

InChI=1S/C16H19FN2O4/c1-16(2,3)23-15(22)19-13(14(20)21)6-9-8-18-12-5-4-10(17)7-11(9)12/h4-5,7-8,13,18H,6H2,1-3H3,(H,19,22)(H,20,21)/t13-/m0/s1