(2S)-1-[(2R)-2-azanylpropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-[(2R)-2-azanylpropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Openeye Name: (2S)-1-[(2R)-2-aminopropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide CAS Name: (2S)-1-[(2R)-2-amino-1-oxopropyl]-N-[(4-carbamimidoylphenyl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-[(2R)-2-aminopropanoyl]-N-[(4-carbamimidoylphenyl)methyl]pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-[(2R)-2-aminopropanoyl]pyrrolidine-2-carboxamide Formula: C16H23N5O2 MolecularWeight: 317.38612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5O2/c1-10(17)16(23)21-8-2-3-13(21)15(22)20-9-11-4-6-12(7-5-11)14(18)19/h4-7,10,13H,2-3,8-9,17H2,1H3,(H3,18,19)(H,20,22)/t10-,13+/m1/s1