[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl] (E)-5-(aminocarbonylamino)pent-4-enoate

Systemtic Name: [1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl] (E)-5-(aminocarbonylamino)pent-4-enoate Openeye Name: [1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl] (E)-5-ureidopent-4-enoate CAS Name: (E)-5-(carbamoylamino)-4-pentenoic acid [1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl] ester IUPAC Name: [1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl] (E)-5-(carbamoylamino)pent-4-enoate Traditional Name: (E)-5-ureidopent-4-enoic acid [1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl] ester Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1OC(=O)CCC=CNC(=O)N)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1OC(=O)CC/C=C/NC(=O)N)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H21N5O4/c18-15(19)11-4-6-12(7-5-11)22-10-8-13(16(22)24)26-14(23)3-1-2-9-21-17(20)25/h2,4-7,9,13H,1,3,8,10H2,(H3,18,19)(H3,20,21,25)/b9-2+