(2S)-4-(4-ethylphenyl)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

Systemtic Name: (2S)-4-(4-ethylphenyl)-2-[[(2R)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid Openeye Name: (2S)-4-(4-ethylphenyl)-2-[[(1R)-2-hydroxy-1-methyl-2-oxo-ethyl]amino]butanoic acid CAS Name: (2S)-4-(4-ethylphenyl)-2-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]butanoic acid IUPAC Name: (2S)-4-(4-ethylphenyl)-2-[[(2R)-1-hydroxy-1-oxopropan-2-yl]amino]butanoic acid Traditional Name: (2S)-4-(4-ethylphenyl)-2-[[(1R)-2-hydroxy-2-keto-1-methyl-ethyl]amino]butyric acid Formula: C15H21NO4 MolecularWeight: 279.33154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(C(=O)O)NC(C)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)CC[C@@H](C(=O)O)N[C@H](C)C(=O)O

InChI

InChI=1S/C15H21NO4/c1-3-11-4-6-12(7-5-11)8-9-13(15(19)20)16-10(2)14(17)18/h4-7,10,13,16H,3,8-9H2,1-2H3,(H,17,18)(H,19,20)/t10-,13+/m1/s1