(2S)-4-methyl-N-(2-methylbutyl)-2-[(3-phenylaziridin-2-yl)methylamino]pentanamide

Systemtic Name: (2S)-4-methyl-N-(2-methylbutyl)-2-[(3-phenylaziridin-2-yl)methylamino]pentanamide Openeye Name: (2S)-4-methyl-N-(2-methylbutyl)-2-[(3-phenylaziridin-2-yl)methylamino]pentanamide CAS Name: (2S)-4-methyl-N-(2-methylbutyl)-2-[(3-phenyl-2-aziridinyl)methylamino]pentanamide IUPAC Name: (2S)-4-methyl-N-(2-methylbutyl)-2-[(3-phenylaziridin-2-yl)methylamino]pentanamide Traditional Name: (2S)-4-methyl-N-(2-methylbutyl)-2-[(3-phenylethylenimin-2-yl)methylamino]valeramide Formula: C20H33N3O MolecularWeight: 331.49552

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CNC(=O)C(CC(C)C)NCC1C(N1)C2=CC=CC=C2

Isomeric SMILES

CCC(C)CNC(=O)[C@H](CC(C)C)NCC1C(N1)C2=CC=CC=C2

InChI

InChI=1S/C20H33N3O/c1-5-15(4)12-22-20(24)17(11-14(2)3)21-13-18-19(23-18)16-9-7-6-8-10-16/h6-10,14-15,17-19,21,23H,5,11-13H2,1-4H3,(H,22,24)/t15?,17-,18?,19?/m0/s1