ethanoyl 2-[azanyl-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]methyl]butanoate

Systemtic Name: ethanoyl 2-[azanyl-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]methyl]butanoate Openeye Name: acetyl 2-[amino-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]methyl]butanoate CAS Name: 2-[amino-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]methyl]butanoic acid acetyl ester IUPAC Name: acetyl 2-[amino-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]methyl]butanoate Traditional Name: 2-[[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]-amino-methyl]butyric acid acetyl ester Formula: C18H24N4O4 MolecularWeight: 360.40756

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(C1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)N)C(=O)OC(=O)C

Isomeric SMILES

CCC(C(C1CCN(C1=O)C2=CC=C(C=C2)C(=N)N)N)C(=O)OC(=O)C

InChI

InChI=1S/C18H24N4O4/c1-3-13(18(25)26-10(2)23)15(19)14-8-9-22(17(14)24)12-6-4-11(5-7-12)16(20)21/h4-7,13-15H,3,8-9,19H2,1-2H3,(H3,20,21)