(E,2R,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoic acid

Systemtic Name: (E,2R,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoic acid Openeye Name: (E,2R,5S)-5-(tert-butoxycarbonylamino)-2-methyl-hept-3-enoic acid CAS Name: (E,2R,5S)-2-methyl-5-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-heptenoic acid IUPAC Name: (E,2R,5S)-2-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]hept-3-enoic acid Traditional Name: (E,2R,5S)-5-(tert-butoxycarbonylamino)-2-methyl-hept-3-enoic acid Formula: C13H23NO4 MolecularWeight: 257.32602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC[C@@H](/C=C/[C@@H](C)C(=O)O)NC(=O)OC(C)(C)C

InChI

InChI=1S/C13H23NO4/c1-6-10(8-7-9(2)11(15)16)14-12(17)18-13(3,4)5/h7-10H,6H2,1-5H3,(H,14,17)(H,15,16)/b8-7+/t9-,10+/m1/s1