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

Systemtic Name: [1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl] 3-[2-(aminocarbonylamino)phenyl]propanoate Openeye Name: [1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl] 3-(2-ureidophenyl)propanoate CAS Name: 3-[2-(carbamoylamino)phenyl]propanoic acid [1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl] 3-[2-(carbamoylamino)phenyl]propanoate Traditional Name: 3-(2-ureidophenyl)propionic acid [1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl] ester Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1OC(=O)CCC2=CC=CC=C2NC(=O)N)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1OC(=O)CCC2=CC=CC=C2NC(=O)N)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H23N5O4/c22-19(23)14-5-8-15(9-6-14)26-12-11-17(20(26)28)30-18(27)10-7-13-3-1-2-4-16(13)25-21(24)29/h1-6,8-9,17H,7,10-12H2,(H3,22,23)(H3,24,25,29)