(4S)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-ynoic acid

Systemtic Name: (4S)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-ynoic acid Openeye Name: (4S)-4-(tert-butoxycarbonylamino)-6-methyl-hept-2-ynoic acid CAS Name: (4S)-6-methyl-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-heptynoic acid IUPAC Name: (4S)-6-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hept-2-ynoic acid Traditional Name: (4S)-4-(tert-butoxycarbonylamino)-6-methyl-hept-2-ynoic acid Formula: C13H21NO4 MolecularWeight: 255.31014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H21NO4/c1-9(2)8-10(6-7-11(15)16)14-12(17)18-13(3,4)5/h9-10H,8H2,1-5H3,(H,14,17)(H,15,16)/t10-/m1/s1