(3R)-4-(1-benzothiophen-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid

Systemtic Name: (3R)-4-(1-benzothiophen-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Openeye Name: (3R)-4-(benzothiophen-3-yl)-3-(tert-butoxycarbonylamino)butanoic acid CAS Name: (3R)-4-(1-benzothiophen-3-yl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanoic acid IUPAC Name: (3R)-4-(1-benzothiophen-3-yl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid Traditional Name: (3R)-4-(benzothiophen-3-yl)-3-(tert-butoxycarbonylamino)butyric acid Formula: C17H21NO4S MolecularWeight: 335.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CSC2=CC=CC=C21)CC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CC1=CSC2=CC=CC=C21)CC(=O)O

InChI

InChI=1S/C17H21NO4S/c1-17(2,3)22-16(21)18-12(9-15(19)20)8-11-10-23-14-7-5-4-6-13(11)14/h4-7,10,12H,8-9H2,1-3H3,(H,18,21)(H,19,20)/t12-/m1/s1