N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[2-(cyclohexylamino)ethanoyl]-2-oxidanyl-pyrrolidine-2-carboxamide

Systemtic Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[2-(cyclohexylamino)ethanoyl]-2-oxidanyl-pyrrolidine-2-carboxamide Openeye Name: N-[(6-carbamimidoyl-3-pyridyl)methyl]-1-[2-(cyclohexylamino)acetyl]-2-hydroxy-pyrrolidine-2-carboxamide CAS Name: N-[(6-carbamimidoyl-3-pyridinyl)methyl]-1-[2-(cyclohexylamino)-1-oxoethyl]-2-hydroxy-2-pyrrolidinecarboxamide IUPAC Name: N-[(6-carbamimidoylpyridin-3-yl)methyl]-1-[2-(cyclohexylamino)acetyl]-2-hydroxypyrrolidine-2-carboxamide Traditional Name: N-[(6-amidino-3-pyridyl)methyl]-1-[2-(cyclohexylamino)acetyl]-2-hydroxy-pyrrolidine-2-carboxamide Formula: C20H30N6O3 MolecularWeight: 402.4906

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NCC(=O)N2CCCC2(C(=O)NCC3=CN=C(C=C3)C(=N)N)O

Isomeric SMILES

C1CCC(CC1)NCC(=O)N2CCCC2(C(=O)NCC3=CN=C(C=C3)C(=N)N)O

InChI

InChI=1S/C20H30N6O3/c21-18(22)16-8-7-14(11-24-16)12-25-19(28)20(29)9-4-10-26(20)17(27)13-23-15-5-2-1-3-6-15/h7-8,11,15,23,29H,1-6,9-10,12-13H2,(H3,21,22)(H,25,28)