(2S,3S)-3-ethynyl-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid

Systemtic Name: (2S,3S)-3-ethynyl-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid Openeye Name: (2S,3S)-2-(tert-butoxycarbonylamino)-3-ethynyl-3-methyl-pent-4-enoic acid CAS Name: (2S,3S)-3-ethynyl-3-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-pentenoic acid IUPAC Name: (2S,3S)-3-ethynyl-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pent-4-enoic acid Traditional Name: (2S,3S)-2-(tert-butoxycarbonylamino)-3-ethynyl-3-methyl-pent-4-enoic acid Formula: C13H19NO4 MolecularWeight: 253.29426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-7-13(6,8-2)9(10(15)16)14-11(17)18-12(3,4)5/h1,8-9H,2H2,3-6H3,(H,14,17)(H,15,16)/t9-,13-/m1/s1