N-[(4-carbamimidoylphenyl)methyl]-1-(2-oxidanyl-3-phenyl-propanoyl)pyrrolidine-2-carboxamide; ethanoic acid

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-(2-oxidanyl-3-phenyl-propanoyl)pyrrolidine-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-hydroxy-3-phenyl-propanoyl)pyrrolidine-2-carboxamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-hydroxy-1-oxo-3-phenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-hydroxy-3-phenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-1-(2-hydroxy-3-phenyl-propanoyl)pyrrolidine-2-carboxamide Formula: C24H30N4O5 MolecularWeight: 454.5188

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)O)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC(=O)O.C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)O)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H26N4O3.C2H4O2/c23-20(24)17-10-8-16(9-11-17)14-25-21(28)18-7-4-12-26(18)22(29)19(27)13-15-5-2-1-3-6-15;1-2(3)4/h1-3,5-6,8-11,18-19,27H,4,7,12-14H2,(H3,23,24)(H,25,28);1H3,(H,3,4)