[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxidanylidene-pyrrolidin-3-yl] 3-[2-(aminocarbonylamino)phenyl]propanoate

Systemtic Name: [1-(4-carbamimidoylphenyl)-3-ethyl-2-oxidanylidene-pyrrolidin-3-yl] 3-[2-(aminocarbonylamino)phenyl]propanoate Openeye Name: [1-(4-carbamimidoylphenyl)-3-ethyl-2-oxo-pyrrolidin-3-yl] 3-(2-ureidophenyl)propanoate CAS Name: 3-[2-(carbamoylamino)phenyl]propanoic acid [1-(4-carbamimidoylphenyl)-3-ethyl-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-carbamimidoylphenyl)-3-ethyl-2-oxopyrrolidin-3-yl] 3-[2-(carbamoylamino)phenyl]propanoate Traditional Name: 3-(2-ureidophenyl)propionic acid [1-(4-amidinophenyl)-3-ethyl-2-keto-pyrrolidin-3-yl] ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCN(C1=O)C2=CC=C(C=C2)C(=N)N)OC(=O)CCC3=CC=CC=C3NC(=O)N

Isomeric SMILES

CCC1(CCN(C1=O)C2=CC=C(C=C2)C(=N)N)OC(=O)CCC3=CC=CC=C3NC(=O)N

InChI

InChI=1S/C23H27N5O4/c1-2-23(13-14-28(21(23)30)17-10-7-16(8-11-17)20(24)25)32-19(29)12-9-15-5-3-4-6-18(15)27-22(26)31/h3-8,10-11H,2,9,12-14H2,1H3,(H3,24,25)(H3,26,27,31)