(2S)-1-[(2R)-2-azanyl-3-methyl-butanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanyl-3-methyl-butanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-amino-3-methyl-butanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-3-methyl-1-oxobutyl]-N-[(4-carbamimidoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-amino-3-methylbutanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-[(2R)-2-amino-3-methyl-butanoyl]pyrrolidine-2-carboxamide Formula: C18H27N5O2 MolecularWeight: 345.43928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O2/c1-11(2)15(19)18(25)23-9-3-4-14(23)17(24)22-10-12-5-7-13(8-6-12)16(20)21/h5-8,11,14-15H,3-4,9-10,19H2,1-2H3,(H3,20,21)(H,22,24)/t14-,15+/m0/s1