(2S)-5-azanyl-2-[[3,4-bis(oxidanyl)phenyl]-methyl-amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-5-azanyl-2-[[3,4-bis(oxidanyl)phenyl]-methyl-amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-5-amino-2-(3,4-dihydroxy-N-methyl-anilino)-5-oxo-pentanoic acid CAS Name: (2S)-5-amino-2-(3,4-dihydroxy-N-methylanilino)-5-oxopentanoic acid IUPAC Name: (2S)-5-amino-2-(3,4-dihydroxy-N-methylanilino)-5-oxopentanoic acid Traditional Name: (2S)-5-amino-2-(3,4-dihydroxy-N-methyl-anilino)-5-keto-valeric acid Formula: C12H16N2O5 MolecularWeight: 268.26584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O5/c1-14(7-2-4-9(15)10(16)6-7)8(12(18)19)3-5-11(13)17/h2,4,6,8,15-16H,3,5H2,1H3,(H2,13,17)(H,18,19)/t8-/m0/s1