(2S)-2-azanyl-4-methyl-pentanoic acid; (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoic acid; (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: (2S)-2-amino-4-methyl-pentanoic acid; (2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoic acid CAS Name: (2S)-2-amino-4-methylpentanoic acid; (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: (2S)-2-amino-4-methylpentanoic acid; (2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: (2S)-2-amino-4-methyl-valeric acid; (2S)-2-(benzyloxycarbonylamino)-4-methyl-valeric acid Formula: C20H32N2O6 MolecularWeight: 396.47788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.CC(C)CC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)N.CC(C)C[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C14H19NO4.C6H13NO2/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11;1-4(2)3-5(7)6(8)9/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17);4-5H,3,7H2,1-2H3,(H,8,9)/t12-;5-/m00/s1