methyl (2S)-2-[2-[3,4-bis(oxidanyl)phenyl]ethylcarbamoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[3,4-bis(oxidanyl)phenyl]ethylcarbamoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[2-(3,4-dihydroxyphenyl)ethylcarbamoylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[2-(3,4-dihydroxyphenyl)ethylamino]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[2-(3,4-dihydroxyphenyl)ethylcarbamoylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[2-(3,4-dihydroxyphenyl)ethylcarbamoylamino]-3-phenyl-propionic acid methyl ester Formula: C19H22N2O5 MolecularWeight: 358.38838

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)NCCC2=CC(=C(C=C2)O)O

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)NCCC2=CC(=C(C=C2)O)O

InChI

InChI=1S/C19H22N2O5/c1-26-18(24)15(11-13-5-3-2-4-6-13)21-19(25)20-10-9-14-7-8-16(22)17(23)12-14/h2-8,12,15,22-23H,9-11H2,1H3,(H2,20,21,25)/t15-/m0/s1