3-[[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]benzoate

Systemtic Name: 3-[[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]benzoate Openeye Name: 3-[[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]methyl]benzoate CAS Name: 3-[[[3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxobutyl]amino]methyl]benzoate IUPAC Name: 3-[[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]methyl]benzoate Traditional Name: 3-[[[2-(tert-butoxycarbonylamino)-3-methyl-butanoyl]amino]methyl]benzoate Formula: C18H25N2O5- MolecularWeight: 349.4015

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NCC1=CC=CC(=C1)C(=O)[O-])NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C(C(=O)NCC1=CC=CC(=C1)C(=O)[O-])NC(=O)OC(C)(C)C

InChI

InChI=1S/C18H26N2O5/c1-11(2)14(20-17(24)25-18(3,4)5)15(21)19-10-12-7-6-8-13(9-12)16(22)23/h6-9,11,14H,10H2,1-5H3,(H,19,21)(H,20,24)(H,22,23)/p-1