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

Systemtic Name: (2S)-1-[(2R,3R)-2-azanyl-3-methyl-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R,3R)-2-amino-3-methyl-pentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R,3R)-2-amino-3-methyl-1-oxopentyl]-N-[(4-carbamimidoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R,3R)-2-amino-3-methylpentanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-[(2R,3R)-2-amino-3-methyl-pentanoyl]pyrrolidine-2-carboxamide Formula: C19H29N5O2 MolecularWeight: 359.46586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N5O2/c1-3-12(2)16(20)19(26)24-10-4-5-15(24)18(25)23-11-13-6-8-14(9-7-13)17(21)22/h6-9,12,15-16H,3-5,10-11,20H2,1-2H3,(H3,21,22)(H,23,25)/t12-,15+,16-/m1/s1