(E)-6-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]hept-2-enoic acid

Systemtic Name: (E)-6-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]hept-2-enoic acid Openeye Name: (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]-6-methyl-hept-2-enoic acid CAS Name: (E)-6-methyl-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-2-heptenoic acid IUPAC Name: (E)-6-methyl-4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]hept-2-enoic acid Traditional Name: (E)-4-[2-(tert-butoxycarbonylamino)propanoylamino]-6-methyl-hept-2-enoic acid Formula: C16H28N2O5 MolecularWeight: 328.40392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C=CC(=O)O)NC(=O)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)CC(/C=C/C(=O)O)NC(=O)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H28N2O5/c1-10(2)9-12(7-8-13(19)20)18-14(21)11(3)17-15(22)23-16(4,5)6/h7-8,10-12H,9H2,1-6H3,(H,17,22)(H,18,21)(H,19,20)/b8-7+