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

Systemtic Name: ethanoyl (E)-5-azanyl-2-[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxidanylidene-pyrrolidin-3-yl]pent-4-enoate Openeye Name: acetyl (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxo-pyrrolidin-3-yl]pent-4-enoate CAS Name: (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxo-3-pyrrolidinyl]-4-pentenoic acid acetyl ester IUPAC Name: acetyl (E)-5-amino-2-[1-(4-carbamimidoylphenyl)-3-ethyl-2-oxopyrrolidin-3-yl]pent-4-enoate Traditional Name: (E)-2-[1-(4-amidinophenyl)-3-ethyl-2-keto-pyrrolidin-3-yl]-5-amino-pent-4-enoic acid acetyl ester Formula: C20H26N4O4 MolecularWeight: 386.44484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O4/c1-3-20(16(5-4-11-21)18(26)28-13(2)25)10-12-24(19(20)27)15-8-6-14(7-9-15)17(22)23/h4,6-9,11,16H,3,5,10,12,21H2,1-2H3,(H3,22,23)/b11-4+