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

Systemtic Name: N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropylcarbonyl(phenethyl)amino]-1-ethanoyl-pyrrolidine-2-carboxamide Openeye Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide CAS Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[[cyclopropyl(oxo)methyl]-phenethylamino]-2-pyrrolidinecarboxamide IUPAC Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide Traditional Name: 1-acetyl-N-[[3-(aminomethyl)cyclohexyl]methyl]-4-[cyclopropanecarbonyl(phenethyl)amino]pyrrolidine-2-carboxamide Formula: C27H40N4O3 MolecularWeight: 468.6315

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CCC3=CC=CC=C3)C(=O)C4CC4

Isomeric SMILES

CC(=O)N1CC(CC1C(=O)NCC2CCCC(C2)CN)N(CCC3=CC=CC=C3)C(=O)C4CC4

InChI

InChI=1S/C27H40N4O3/c1-19(32)31-18-24(15-25(31)26(33)29-17-22-9-5-8-21(14-22)16-28)30(27(34)23-10-11-23)13-12-20-6-3-2-4-7-20/h2-4,6-7,21-25H,5,8-18,28H2,1H3,(H,29,33)