2-methyl-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoic acid

Systemtic Name: 2-methyl-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanyl-butanoyl]amino]benzoic acid Openeye Name: 2-[[2-(tert-butoxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-6-methyl-benzoic acid CAS Name: 2-methyl-6-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]amino]benzoic acid IUPAC Name: 2-methyl-6-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-methylsulfanylbutanoyl]amino]benzoic acid Traditional Name: 2-[[2-(tert-butoxycarbonylamino)-4-(methylthio)butanoyl]amino]-6-methyl-benzoic acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)C(CCSC)NC(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)C(CCSC)NC(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C18H26N2O5S/c1-11-7-6-8-12(14(11)16(22)23)19-15(21)13(9-10-26-5)20-17(24)25-18(2,3)4/h6-8,13H,9-10H2,1-5H3,(H,19,21)(H,20,24)(H,22,23)