(E)-2-(1H-indol-3-ylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enoic acid

Systemtic Name: (E)-2-(1H-indol-3-ylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enoic acid Openeye Name: (E)-3-(tert-butoxycarbonylamino)-2-(1H-indol-3-ylmethyl)oct-2-enoic acid CAS Name: (E)-2-(1H-indol-3-ylmethyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-octenoic acid IUPAC Name: (E)-2-(1H-indol-3-ylmethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oct-2-enoic acid Traditional Name: (E)-3-(tert-butoxycarbonylamino)-2-(1H-indol-3-ylmethyl)oct-2-enoic acid Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=C(CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCC/C(=C(/CC1=CNC2=CC=CC=C21)\C(=O)O)/NC(=O)OC(C)(C)C

InChI

InChI=1S/C22H30N2O4/c1-5-6-7-12-19(24-21(27)28-22(2,3)4)17(20(25)26)13-15-14-23-18-11-9-8-10-16(15)18/h8-11,14,23H,5-7,12-13H2,1-4H3,(H,24,27)(H,25,26)/b19-17+