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

Systemtic Name: (2R)-3-(2-bromanyl-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Openeye Name: (2R)-3-(2-bromo-1H-indol-3-yl)-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2R)-3-(2-bromo-1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propanoic acid IUPAC Name: (2R)-3-(2-bromo-1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid Traditional Name: (2R)-3-(2-bromo-1H-indol-3-yl)-2-(tert-butoxycarbonylamino)propionic acid Formula: C16H19BrN2O4 MolecularWeight: 383.23706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=C(NC2=CC=CC=C21)Br)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=C(NC2=CC=CC=C21)Br)C(=O)O

InChI

InChI=1S/C16H19BrN2O4/c1-16(2,3)23-15(22)19-12(14(20)21)8-10-9-6-4-5-7-11(9)18-13(10)17/h4-7,12,18H,8H2,1-3H3,(H,19,22)(H,20,21)/t12-/m1/s1