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

Systemtic Name: methyl (2S,3S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-methyl-pentanoate Openeye Name: methyl (2S,3S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[[[2-(3,4-dimethoxyphenyl)ethylamino]-oxomethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-2-[2-(3,4-dimethoxyphenyl)ethylcarbamoylamino]-3-methylpentanoate Traditional Name: (2S,3S)-2-(homoveratrylcarbamoylamino)-3-methyl-valeric acid methyl ester Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)NCCC1=CC(=C(C=C1)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O5/c1-6-12(2)16(17(21)25-5)20-18(22)19-10-9-13-7-8-14(23-3)15(11-13)24-4/h7-8,11-12,16H,6,9-10H2,1-5H3,(H2,19,20,22)/t12-,16-/m0/s1