(2S)-3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid

Systemtic Name: (2S)-3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-methylindol-3-yl)propanoic acid CAS Name: (2S)-3-(1-methyl-3-indolyl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2S)-3-(1-methylindol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-3-(1-methylindol-3-yl)propionic acid Formula: C17H22N2O4 MolecularWeight: 318.36758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CN(C2=CC=CC=C21)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CN(C2=CC=CC=C21)C)C(=O)O

InChI

InChI=1S/C17H22N2O4/c1-17(2,3)23-16(22)18-13(15(20)21)9-11-10-19(4)14-8-6-5-7-12(11)14/h5-8,10,13H,9H2,1-4H3,(H,18,22)(H,20,21)/t13-/m0/s1