ethyl 4-[2-[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxyethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxyethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(2S)-3-phenyl-2-ureido-propanoyl]oxyacetyl]amino]benzoate CAS Name: 4-[[2-[(2S)-2-(carbamoylamino)-1-oxo-3-phenylpropoxy]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2S)-2-(carbamoylamino)-3-phenylpropanoyl]oxyacetyl]amino]benzoate Traditional Name: 4-[[2-[(2S)-3-phenyl-2-ureido-propanoyl]oxyacetyl]amino]benzoic acid ethyl ester Formula: C21H23N3O6 MolecularWeight: 413.42382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O6/c1-2-29-19(26)15-8-10-16(11-9-15)23-18(25)13-30-20(27)17(24-21(22)28)12-14-6-4-3-5-7-14/h3-11,17H,2,12-13H2,1H3,(H,23,25)(H3,22,24,28)/t17-/m0/s1