3-(1-benzothiophen-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid

Systemtic Name: 3-(1-benzothiophen-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid Openeye Name: 3-(benzothiophen-3-yl)-2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]propanoic acid CAS Name: 3-(1-benzothiophen-3-yl)-2-[[2-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]propanoic acid IUPAC Name: 3-(1-benzothiophen-3-yl)-2-[[2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid Traditional Name: 3-(benzothiophen-3-yl)-2-[[2-(tert-butoxycarbonylamino)-2-methyl-propanoyl]amino]propionic acid Formula: C20H26N2O5S MolecularWeight: 406.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O5S/c1-19(2,3)27-18(26)22-20(4,5)17(25)21-14(16(23)24)10-12-11-28-15-9-7-6-8-13(12)15/h6-9,11,14H,10H2,1-5H3,(H,21,25)(H,22,26)(H,23,24)