(2R)-2-[methyl-[(2S)-3-methyl-2-oxidanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[methyl-[(2S)-3-methyl-2-oxidanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-hydroxy-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-hydroxy-3-methyl-1-oxobutyl]-methylamino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-hydroxy-3-methylbutanoyl]-methylamino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-hydroxy-3-methyl-butanoyl]-methyl-amino]-3-phenyl-propionic acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N(C)C(CC1=CC=CC=C1)C(=O)O)O

Isomeric SMILES

CC(C)[C@@H](C(=O)N(C)[C@H](CC1=CC=CC=C1)C(=O)O)O

InChI

InChI=1S/C15H21NO4/c1-10(2)13(17)14(18)16(3)12(15(19)20)9-11-7-5-4-6-8-11/h4-8,10,12-13,17H,9H2,1-3H3,(H,19,20)/t12-,13+/m1/s1