2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methyl-propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methyl-propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-3-(benzothiophen-2-yl)-2-methyl-propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-3-(1-benzothiophen-2-yl)-2-methylpropanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-3-(1-benzothiophen-2-yl)-2-methylpropanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-3-(benzothiophen-2-yl)-2-methyl-propionic acid Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=CC=CC=C2S1)(C(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(CC1=CC2=CC=CC=C2S1)(C(=O)O)NC(=O)OC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C23H27NO4S/c1-23(21(25)26,12-18-11-15-4-2-3-5-19(15)29-18)24-22(27)28-20-16-7-13-6-14(9-16)10-17(20)8-13/h2-5,11,13-14,16-17,20H,6-10,12H2,1H3,(H,24,27)(H,25,26)