(2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-methyl-1-oxobutyl)-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(4-carbamimidoylphenyl)methyl]-1-(3-methylbutanoyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-(4-amidinobenzyl)-1-isovaleryl-pyrrolidine-2-carboxamide Formula: C18H26N4O2 MolecularWeight: 330.42464

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N4O2/c1-12(2)10-16(23)22-9-3-4-15(22)18(24)21-11-13-5-7-14(8-6-13)17(19)20/h5-8,12,15H,3-4,9-11H2,1-2H3,(H3,19,20)(H,21,24)/t15-/m0/s1