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

Systemtic Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4-methyl-pentanoate Openeye Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: (2S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-4-methylpentanoate Traditional Name: (2S)-2-(homoveratrylcarbamoylamino)-4-methyl-valerate Formula: C17H25N2O5- MolecularWeight: 337.3908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5/c1-11(2)9-13(16(20)21)19-17(22)18-8-7-12-5-6-14(23-3)15(10-12)24-4/h5-6,10-11,13H,7-9H2,1-4H3,(H,20,21)(H2,18,19,22)/p-1/t13-/m0/s1