ethyl 4-[2-[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxyethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[2-[(2S)-2-(aminocarbonylamino)-3-phenyl-propanoyl]oxyethanoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-[2-[(2S)-3-phenyl-2-ureido-propanoyl]oxyacetyl]-1H-pyrrole-3-carboxylate CAS Name: 4-[2-[(2S)-2-(carbamoylamino)-1-oxo-3-phenylpropoxy]-1-oxoethyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(2S)-2-(carbamoylamino)-3-phenylpropanoyl]oxyacetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 2,5-dimethyl-4-[2-[(2S)-3-phenyl-2-ureido-propanoyl]oxyacetyl]-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)C(CC2=CC=CC=C2)NC(=O)N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)COC(=O)[C@H](CC2=CC=CC=C2)NC(=O)N)C)C

InChI

InChI=1S/C21H25N3O6/c1-4-29-20(27)18-13(3)23-12(2)17(18)16(25)11-30-19(26)15(24-21(22)28)10-14-8-6-5-7-9-14/h5-9,15,23H,4,10-11H2,1-3H3,(H3,22,24,28)/t15-/m0/s1