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

Systemtic Name: 2-[(3-methoxy-4-oxidanyl-phenyl)carbonylamino]ethyl (2S)-2-azanyl-3-methyl-pentanoate Openeye Name: 2-[(4-hydroxy-3-methoxy-benzoyl)amino]ethyl (2S)-2-amino-3-methyl-pentanoate CAS Name: (2S)-2-amino-3-methylpentanoic acid 2-[[(4-hydroxy-3-methoxyphenyl)-oxomethyl]amino]ethyl ester IUPAC Name: 2-[(4-hydroxy-3-methoxybenzoyl)amino]ethyl (2S)-2-amino-3-methylpentanoate Traditional Name: (2S)-2-amino-3-methyl-valeric acid 2-(vanilloylamino)ethyl ester Formula: C16H24N2O5 MolecularWeight: 324.37216

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H24N2O5/c1-4-10(2)14(17)16(21)23-8-7-18-15(20)11-5-6-12(19)13(9-11)22-3/h5-6,9-10,14,19H,4,7-8,17H2,1-3H3,(H,18,20)/t10?,14-/m0/s1