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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O5/c1-5-11(2)15(16(20)21)19-17(22)18-9-8-12-6-7-13(23-3)14(10-12)24-4/h6-7,10-11,15H,5,8-9H2,1-4H3,(H,20,21)(H2,18,19,22)/p-1/t11-,15-/m0/s1