N-[(4-carbamimidoylphenyl)methyl]-1-[2-(2,2-dimethylpropanoylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(2,2-dimethylpropanoylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(2,2-dimethylpropanoylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-[(2,2-dimethyl-1-oxopropyl)amino]-1-oxo-3,3-diphenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(2,2-dimethylpropanoylamino)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[3,3-diphenyl-2-(pivaloylamino)propanoyl]pyrrolidine-2-carboxamide Formula: C33H39N5O3 MolecularWeight: 553.69446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)C(=N)N

Isomeric SMILES

CC(C)(C)C(=O)NC(C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)C(=N)N

InChI

InChI=1S/C33H39N5O3/c1-33(2,3)32(41)37-28(27(23-11-6-4-7-12-23)24-13-8-5-9-14-24)31(40)38-20-10-15-26(38)30(39)36-21-22-16-18-25(19-17-22)29(34)35/h4-9,11-14,16-19,26-28H,10,15,20-21H2,1-3H3,(H3,34,35)(H,36,39)(H,37,41)