N-[2-[(4-carbamimidoylcyclopenta-1,3-dien-1-yl)methylamino]-2-oxidanylidene-ethyl]-2-[(3-carbamimidoylphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: N-[2-[(4-carbamimidoylcyclopenta-1,3-dien-1-yl)methylamino]-2-oxidanylidene-ethyl]-2-[(3-carbamimidoylphenyl)methyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-[(4-carbamimidoylcyclopenta-1,3-dien-1-yl)methylamino]-2-oxo-ethyl]-2-[(3-carbamimidoylphenyl)methyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[(4-carbamimidoyl-1-cyclopenta-1,3-dienyl)methylamino]-2-oxoethyl]-2-[(3-carbamimidoylphenyl)methyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[(4-carbamimidoylcyclopenta-1,3-dien-1-yl)methylamino]-2-oxoethyl]-2-[(3-carbamimidoylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: 2-(3-amidinobenzyl)-N-[2-[(4-amidinocyclopenta-1,3-dien-1-yl)methylamino]-2-keto-ethyl]-5-keto-pyrrolidine-2-carboxamide Formula: C22H27N7O3 MolecularWeight: 437.49488

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1=O)(CC2=CC=CC(=C2)C(=N)N)C(=O)NCC(=O)NCC3=CC=C(C3)C(=N)N

Isomeric SMILES

C1CC(NC1=O)(CC2=CC=CC(=C2)C(=N)N)C(=O)NCC(=O)NCC3=CC=C(C3)C(=N)N

InChI

InChI=1S/C22H27N7O3/c23-19(24)15-3-1-2-13(8-15)10-22(7-6-17(30)29-22)21(32)28-12-18(31)27-11-14-4-5-16(9-14)20(25)26/h1-5,8H,6-7,9-12H2,(H3,23,24)(H3,25,26)(H,27,31)(H,28,32)(H,29,30)