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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-(2-oxidanyl-3,3-diphenyl-propanoyl)pyrrolidine-2-carboxamide; ethanoic acid Openeye Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-hydroxy-3,3-diphenyl-propanoyl)pyrrolidine-2-carboxamide CAS Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-hydroxy-1-oxo-3,3-diphenylpropyl)-2-pyrrolidinecarboxamide IUPAC Name: acetic acid; N-[(4-carbamimidoylphenyl)methyl]-1-(2-hydroxy-3,3-diphenylpropanoyl)pyrrolidine-2-carboxamide Traditional Name: acetic acid; N-(4-amidinobenzyl)-1-(2-hydroxy-3,3-diphenyl-propanoyl)pyrrolidine-2-carboxamide Formula: C30H34N4O5 MolecularWeight: 530.61476

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.C1CC(N(C1)C(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(=O)O.C1CC(N(C1)C(=O)C(C(C2=CC=CC=C2)C3=CC=CC=C3)O)C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C28H30N4O3.C2H4O2/c29-26(30)22-15-13-19(14-16-22)18-31-27(34)23-12-7-17-32(23)28(35)25(33)24(20-8-3-1-4-9-20)21-10-5-2-6-11-21;1-2(3)4/h1-6,8-11,13-16,23-25,33H,7,12,17-18H2,(H3,29,30)(H,31,34);1H3,(H,3,4)