N-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropylcarbonyl-4-[(4-methoxyphenyl)carbonyl-phenethyl-amino]pyrrolidine-2-carboxamide

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-cyclopropylcarbonyl-4-[(4-methoxyphenyl)carbonyl-phenethyl-amino]pyrrolidine-2-carboxamide Openeye Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[(4-methoxybenzoyl)-phenethyl-amino]pyrrolidine-2-carboxamide CAS Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-[cyclopropyl(oxo)methyl]-4-[[(4-methoxyphenyl)-oxomethyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[(4-methoxybenzoyl)-phenethylamino]pyrrolidine-2-carboxamide Traditional Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-1-(cyclopropanecarbonyl)-4-[p-anisoyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C33H44N4O4 MolecularWeight: 560.72686

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4CC4)C(=O)NCC5CCCC(C5)CN

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)N(CCC2=CC=CC=C2)C3CC(N(C3)C(=O)C4CC4)C(=O)NCC5CCCC(C5)CN

InChI

InChI=1S/C33H44N4O4/c1-41-29-14-12-27(13-15-29)32(39)36(17-16-23-6-3-2-4-7-23)28-19-30(37(22-28)33(40)26-10-11-26)31(38)35-21-25-9-5-8-24(18-25)20-34/h2-4,6-7,12-15,24-26,28,30H,5,8-11,16-22,34H2,1H3,(H,35,38)