2-(1-benzothiophen-2-yl)-2-[3-methylbutyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethanoic acid

Systemtic Name: 2-(1-benzothiophen-2-yl)-2-[3-methylbutyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethanoic acid Openeye Name: 2-(benzothiophen-2-yl)-2-[(tert-butoxycarbonylamino)-isopentyl-amino]acetic acid CAS Name: 2-(1-benzothiophen-2-yl)-2-[3-methylbutyl-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]amino]acetic acid IUPAC Name: 2-(1-benzothiophen-2-yl)-2-[3-methylbutyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]acetic acid Traditional Name: 2-(benzothiophen-2-yl)-2-[(tert-butoxycarbonylamino)-isoamyl-amino]acetic acid Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN(C(C1=CC2=CC=CC=C2S1)C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CCN(C(C1=CC2=CC=CC=C2S1)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H28N2O4S/c1-13(2)10-11-22(21-19(25)26-20(3,4)5)17(18(23)24)16-12-14-8-6-7-9-15(14)27-16/h6-9,12-13,17H,10-11H2,1-5H3,(H,21,25)(H,23,24)