2-[(4-methoxy-3-oxidanyl-phenyl)carbonyl-oxidanyl-amino]ethyl (2S)-2-azanyl-3-methyl-pentanoate

Systemtic Name: 2-[(4-methoxy-3-oxidanyl-phenyl)carbonyl-oxidanyl-amino]ethyl (2S)-2-azanyl-3-methyl-pentanoate Openeye Name: 2-[hydroxy-(3-hydroxy-4-methoxy-benzoyl)amino]ethyl (2S)-2-amino-3-methyl-pentanoate CAS Name: (2S)-2-amino-3-methylpentanoic acid 2-[hydroxy-[(3-hydroxy-4-methoxyphenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[hydroxy-(3-hydroxy-4-methoxybenzoyl)amino]ethyl (2S)-2-amino-3-methylpentanoate Traditional Name: (2S)-2-amino-3-methyl-valeric acid 2-[hydroxy(isovanilloyl)amino]ethyl ester Formula: C16H24N2O6 MolecularWeight: 340.37156

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCCN(C(=O)C1=CC(=C(C=C1)OC)O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O6/c1-4-10(2)14(17)16(21)24-8-7-18(22)15(20)11-5-6-13(23-3)12(19)9-11/h5-6,9-10,14,19,22H,4,7-8,17H2,1-3H3/t10?,14-/m0/s1