(2S)-3-phenyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanoate

Systemtic Name: (2S)-3-phenyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanoate Openeye Name: (2S)-3-phenyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanoate CAS Name: (2S)-2-[[oxo-[(3,4,5-trimethoxyphenyl)methylamino]methyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-3-phenyl-2-[(3,4,5-trimethoxyphenyl)methylcarbamoylamino]propanoate Traditional Name: (2S)-3-phenyl-2-[(3,4,5-trimethoxybenzyl)carbamoylamino]propionate Formula: C20H23N2O6- MolecularWeight: 387.40642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CNC(=O)NC(CC2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CNC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C20H24N2O6/c1-26-16-10-14(11-17(27-2)18(16)28-3)12-21-20(25)22-15(19(23)24)9-13-7-5-4-6-8-13/h4-8,10-11,15H,9,12H2,1-3H3,(H,23,24)(H2,21,22,25)/p-1/t15-/m0/s1