(E,2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]dec-4-en-6-ynoic acid

Systemtic Name: (E,2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]dec-4-en-6-ynoic acid Openeye Name: (E,2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-dec-4-en-6-ynoic acid CAS Name: (E,2S,3R)-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]dec-4-en-6-ynoic acid IUPAC Name: (E,2S,3R)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]dec-4-en-6-ynoic acid Traditional Name: (E,2S,3R)-2-(tert-butoxycarbonylamino)-3-methyl-dec-4-en-6-ynoic acid Formula: C16H25NO4 MolecularWeight: 295.374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO4/c1-6-7-8-9-10-11-12(2)13(14(18)19)17-15(20)21-16(3,4)5/h10-13H,6-7H2,1-5H3,(H,17,20)(H,18,19)/b11-10+/t12-,13+/m1/s1