methyl 2-[2-[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 2-[[2-[(2S)-3-phenyl-2-ureido-propanoyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[(2S)-2-(carbamoylamino)-1-oxo-3-phenylpropoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2S)-2-(carbamoylamino)-3-phenylpropanoyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[(2S)-3-phenyl-2-ureido-propanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C20H21N3O6/c1-28-18(25)14-9-5-6-10-15(14)22-17(24)12-29-19(26)16(23-20(21)27)11-13-7-3-2-4-8-13/h2-10,16H,11-12H2,1H3,(H,22,24)(H3,21,23,27)/t16-/m0/s1