(2S)-2-azanyl-4-methyl-pentanoic acid; (2S)-2-(carboxymethylamino)-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-azanyl-4-methyl-pentanoic acid; (2S)-2-(carboxymethylamino)-3-phenyl-propanoic acid Openeye Name: (2S)-2-amino-4-methyl-pentanoic acid; (2S)-2-(carboxymethylamino)-3-phenyl-propanoic acid CAS Name: (2S)-2-amino-4-methylpentanoic acid; (2S)-2-(carboxymethylamino)-3-phenylpropanoic acid IUPAC Name: (2S)-2-amino-4-methylpentanoic acid; (2S)-2-(carboxymethylamino)-3-phenylpropanoic acid Traditional Name: (2S)-2-amino-4-methyl-valeric acid; (2S)-2-(carboxymethylamino)-3-phenyl-propionic acid Formula: C17H26N2O6 MolecularWeight: 354.39814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N.C1=CC=C(C=C1)CC(C(=O)O)NCC(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4.C6H13NO2/c13-10(14)7-12-9(11(15)16)6-8-4-2-1-3-5-8;1-4(2)3-5(7)6(8)9/h1-5,9,12H,6-7H2,(H,13,14)(H,15,16);4-5H,3,7H2,1-2H3,(H,8,9)/t9-;5-/m00/s1