(2S)-1-[(2R)-2-azanyl-4,4-dimethyl-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-4,4-dimethyl-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-4,4-dimethyl-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-4,4-dimethyl-1-oxopentyl]-N-[(4-carbamimidoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-4,4-dimethylpentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-[(2R)-2-amino-4,4-dimethyl-pentanoyl]pyrrolidine-2-carboxamide Formula: C20H31N5O2 MolecularWeight: 373.49244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C(=O)N1CCCC1C(=O)NCC2=CC=C(C=C2)C(=N)N)N

Isomeric SMILES

CC(C)(C)C[C@H](C(=O)N1CCC[C@H]1C(=O)NCC2=CC=C(C=C2)C(=N)N)N

InChI

InChI=1S/C20H31N5O2/c1-20(2,3)11-15(21)19(27)25-10-4-5-16(25)18(26)24-12-13-6-8-14(9-7-13)17(22)23/h6-9,15-16H,4-5,10-12,21H2,1-3H3,(H3,22,23)(H,24,26)/t15-,16+/m1/s1