2-[(3-aminocarbonylphenyl)methyl]-N-[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide

Systemtic Name: 2-[(3-aminocarbonylphenyl)methyl]-N-[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxidanylidene-ethyl]-5-oxidanylidene-pyrrolidine-2-carboxamide Openeye Name: N-[2-[(5-carbamimidoyl-2-thienyl)methylamino]-2-oxo-ethyl]-2-[(3-carbamoylphenyl)methyl]-5-oxo-pyrrolidine-2-carboxamide CAS Name: N-[2-[(5-carbamimidoyl-2-thiophenyl)methylamino]-2-oxoethyl]-2-[(3-carbamoylphenyl)methyl]-5-oxo-2-pyrrolidinecarboxamide IUPAC Name: N-[2-[(5-carbamimidoylthiophen-2-yl)methylamino]-2-oxoethyl]-2-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide Traditional Name: N-[2-[(5-amidino-2-thienyl)methylamino]-2-keto-ethyl]-2-(3-carbamoylbenzyl)-5-keto-pyrrolidine-2-carboxamide Formula: C21H24N6O4S MolecularWeight: 456.51806

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1=O)(CC2=CC=CC(=C2)C(=O)N)C(=O)NCC(=O)NCC3=CC=C(S3)C(=N)N

Isomeric SMILES

C1CC(NC1=O)(CC2=CC=CC(=C2)C(=O)N)C(=O)NCC(=O)NCC3=CC=C(S3)C(=N)N

InChI

InChI=1S/C21H24N6O4S/c22-18(23)15-5-4-14(32-15)10-25-17(29)11-26-20(31)21(7-6-16(28)27-21)9-12-2-1-3-13(8-12)19(24)30/h1-5,8H,6-7,9-11H2,(H3,22,23)(H2,24,30)(H,25,29)(H,26,31)(H,27,28)