methyl (2S)-2-azanyl-5-[(3-hydroxyphenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: methyl (2S)-2-azanyl-5-[(3-hydroxyphenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxo-pentanoate CAS Name: (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-2-amino-5-(3-hydroxyanilino)-5-oxopentanoate Traditional Name: (2S)-2-amino-5-(3-hydroxyanilino)-5-keto-valeric acid methyl ester Formula: C12H16N2O4 MolecularWeight: 252.26644

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC(=CC=C1)O)N

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC(=CC=C1)O)N

InChI

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