(2R)-1-(2-azanylethanoyl)-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-2-(oxan-4-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2R)-1-(2-azanylethanoyl)-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-2-(oxan-4-yl)pyrrolidine-2-carboxamide Openeye Name: (2R)-1-(2-aminoacetyl)-N-[(4-carbamimidoyl-2-methoxy-phenyl)methyl]-2-tetrahydropyran-4-yl-pyrrolidine-2-carboxamide CAS Name: (2R)-1-(2-amino-1-oxoethyl)-N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(4-oxanyl)-2-pyrrolidinecarboxamide IUPAC Name: (2R)-1-(2-aminoacetyl)-N-[(4-carbamimidoyl-2-methoxyphenyl)methyl]-2-(oxan-4-yl)pyrrolidine-2-carboxamide Traditional Name: (2R)-N-(4-amidino-2-methoxy-benzyl)-1-glycyl-2-tetrahydropyran-4-yl-pyrrolidine-2-carboxamide Formula: C21H31N5O4 MolecularWeight: 417.50194

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=N)N)CNC(=O)C2(CCCN2C(=O)CN)C3CCOCC3

Isomeric SMILES

COC1=C(C=CC(=C1)C(=N)N)CNC(=O)[C@@]2(CCCN2C(=O)CN)C3CCOCC3

InChI

InChI=1S/C21H31N5O4/c1-29-17-11-14(19(23)24)3-4-15(17)13-25-20(28)21(16-5-9-30-10-6-16)7-2-8-26(21)18(27)12-22/h3-4,11,16H,2,5-10,12-13,22H2,1H3,(H3,23,24)(H,25,28)/t21-/m1/s1