(2S)-5-azanyl-2-[(4-hydroxyphenyl)-methyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[(4-hydroxyphenyl)-methyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-(4-hydroxy-N-methyl-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-(4-hydroxy-N-methylanilino)-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-(4-hydroxy-N-methylanilino)-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-(4-hydroxy-N-methyl-anilino)-5-keto-valeric acid Formula: C12H16N2O4 MolecularWeight: 252.26644

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)O)C(CCC(=O)N)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O4/c1-14(8-2-4-9(15)5-3-8)10(12(17)18)6-7-11(13)16/h2-5,10,15H,6-7H2,1H3,(H2,13,16)(H,17,18)/t10-/m0/s1