N-[(2R)-2-[[(2R)-1-[2-(1-adamantyl)ethyl]pyrrolidin-2-yl]methyl-(phenylcarbamoyl)amino]-6-[methyl(phenylcarbamoyl)amino]hexyl]-2-phenyl-ethanamide

Systemtic Name: N-[(2R)-2-[[(2R)-1-[2-(1-adamantyl)ethyl]pyrrolidin-2-yl]methyl-(phenylcarbamoyl)amino]-6-[methyl(phenylcarbamoyl)amino]hexyl]-2-phenyl-ethanamide Openeye Name: N-[(2R)-2-[[(2R)-1-[2-(1-adamantyl)ethyl]pyrrolidin-2-yl]methyl-(phenylcarbamoyl)amino]-6-[methyl(phenylcarbamoyl)amino]hexyl]-2-phenyl-acetamide CAS Name: N-[(2R)-2-[[(2R)-1-[2-(1-adamantyl)ethyl]-2-pyrrolidinyl]methyl-[anilino(oxo)methyl]amino]-6-[[anilino(oxo)methyl]-methylamino]hexyl]-2-phenylacetamide IUPAC Name: N-[(2R)-2-[[(2R)-1-[2-(1-adamantyl)ethyl]pyrrolidin-2-yl]methyl-(phenylcarbamoyl)amino]-6-[methyl(phenylcarbamoyl)amino]hexyl]-2-phenylacetamide Traditional Name: N-[(2R)-2-[[(2R)-1-[2-(1-adamantyl)ethyl]pyrrolidin-2-yl]methyl-(phenylcarbamoyl)amino]-6-[methyl(phenylcarbamoyl)amino]hexyl]-2-phenyl-acetamide Formula: C46H62N6O3 MolecularWeight: 747.02288

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC(CNC(=O)CC1=CC=CC=C1)N(CC2CCCN2CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC=C6)C(=O)NC7=CC=CC=C7

Isomeric SMILES

CN(CCCC[C@H](CNC(=O)CC1=CC=CC=C1)N(C[C@H]2CCCN2CCC34CC5CC(C3)CC(C5)C4)C(=O)NC6=CC=CC=C6)C(=O)NC7=CC=CC=C7

InChI

InChI=1S/C46H62N6O3/c1-50(44(54)48-39-16-7-3-8-17-39)23-12-11-20-41(33-47-43(53)29-35-14-5-2-6-15-35)52(45(55)49-40-18-9-4-10-19-40)34-42-21-13-24-51(42)25-22-46-30-36-26-37(31-46)28-38(27-36)32-46/h2-10,14-19,36-38,41-42H,11-13,20-34H2,1H3,(H,47,53)(H,48,54)(H,49,55)/t36?,37?,38?,41-,42-,46?/m1/s1