(3R)-3-azanylpentanenitrile; (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid

Systemtic Name: (3R)-3-azanylpentanenitrile; (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Openeye Name: (3R)-3-aminopentanenitrile; (2S)-2-(tert-butoxycarbonylamino)-4-methyl-pentanoic acid CAS Name: (3R)-3-aminopentanenitrile; (2S)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid IUPAC Name: (3R)-3-aminopentanenitrile; (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid Traditional Name: (3R)-3-aminovaleronitrile; (2S)-2-(tert-butoxycarbonylamino)-4-methyl-valeric acid Formula: C16H31N3O4 MolecularWeight: 329.43504

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC#N)N.CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C11H21NO4.C5H10N2/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;1-2-5(7)3-4-6/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);5H,2-3,7H2,1H3/t8-;5-/m01/s1