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

Systemtic Name: methyl (3S)-3-azanyl-4-[[2,5-bis(oxidanyl)phenyl]methyl-methyl-amino]-4-oxidanylidene-butanoate Openeye Name: methyl (3S)-3-amino-4-[(2,5-dihydroxyphenyl)methyl-methyl-amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[(2,5-dihydroxyphenyl)methyl-methylamino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl (3S)-3-amino-4-[(2,5-dihydroxyphenyl)methyl-methylamino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-[(2,5-dihydroxybenzyl)-methyl-amino]-4-keto-butyric acid methyl ester Formula: C13H18N2O5 MolecularWeight: 282.29242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5/c1-15(13(19)10(14)6-12(18)20-2)7-8-5-9(16)3-4-11(8)17/h3-5,10,16-17H,6-7,14H2,1-2H3/t10-/m0/s1