1-[2-(tert-butylamino)-3-oxidanyl-propanoyl]-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: 1-[2-(tert-butylamino)-3-oxidanyl-propanoyl]-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: 1-[2-(tert-butylamino)-3-hydroxy-propanoyl]-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]pyrrolidine-2-carboxamide CAS Name: 1-[2-(tert-butylamino)-3-hydroxy-1-oxopropyl]-N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: 1-[2-(tert-butylamino)-3-hydroxypropanoyl]-N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidino-2-methoxy-benzyl)-1-[2-(tert-butylamino)-3-hydroxy-propanoyl]pyrrolidine-2-carboxamide Formula: C21H33N5O4 MolecularWeight: 419.51782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(CO)C(=O)N1CCCC1C(=O)NCC2=C(C=C(C=C2)C(=N)N)OC

Isomeric SMILES

CC(C)(C)NC(CO)C(=O)N1CCCC1C(=O)NCC2=C(C=C(C=C2)C(=N)N)OC

InChI

InChI=1S/C21H33N5O4/c1-21(2,3)25-15(12-27)20(29)26-9-5-6-16(26)19(28)24-11-14-8-7-13(18(22)23)10-17(14)30-4/h7-8,10,15-16,25,27H,5-6,9,11-12H2,1-4H3,(H3,22,23)(H,24,28)