(2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-methyl-butanoate

Systemtic Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-methyl-butanoate Openeye Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]amino]-3-methylbutanoate IUPAC Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-methylbutanoate Traditional Name: (2S)-2-(homoveratrylcarbamoylamino)-3-methyl-butyrate Formula: C16H23N2O5- MolecularWeight: 323.36422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)[O-])NC(=O)NCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(C)[C@@H](C(=O)[O-])NC(=O)NCCC1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H24N2O5/c1-10(2)14(15(19)20)18-16(21)17-8-7-11-5-6-12(22-3)13(9-11)23-4/h5-6,9-10,14H,7-8H2,1-4H3,(H,19,20)(H2,17,18,21)/p-1/t14-/m0/s1