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

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(dimethylphosphorylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(dimethylphosphorylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(dimethylphosphorylamino)-1-oxo-3,3-diphenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[2-(dimethylphosphorylamino)-3,3-diphenylpropanoyl]pyrrolidine-2-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-[2-(dimethylphosphorylamino)-3,3-diphenyl-propanoyl]pyrrolidine-2-carboxamide Formula: C30H36N5O3P MolecularWeight: 545.612301

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CP(=O)(C)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/C30H36N5O3P/c1-39(2,38)34-27(26(22-10-5-3-6-11-22)23-12-7-4-8-13-23)30(37)35-19-9-14-25(35)29(36)33-20-21-15-17-24(18-16-21)28(31)32/h3-8,10-13,15-18,25-27H,9,14,19-20H2,1-2H3,(H3,31,32)(H,33,36)(H,34,38)