methyl (2S)-2-[[(2S,3R)-1-(4-bromophenyl)-3-phenyl-aziridin-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S,3R)-1-(4-bromophenyl)-3-phenyl-aziridin-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S,3R)-1-(4-bromophenyl)-3-phenyl-aziridine-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[[(2S,3R)-1-(4-bromophenyl)-3-phenyl-2-aziridinyl]-oxomethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R)-1-(4-bromophenyl)-3-phenylaziridine-2-carbonyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S,3R)-1-(4-bromophenyl)-3-phenyl-ethylenimine-2-carbonyl]amino]-4-methyl-valeric acid methyl ester Formula: C22H25BrN2O3 MolecularWeight: 445.3495

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C1C(N1C2=CC=C(C=C2)Br)C3=CC=CC=C3

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@@H]1[C@H](N1C2=CC=C(C=C2)Br)C3=CC=CC=C3

InChI

InChI=1S/C22H25BrN2O3/c1-14(2)13-18(22(27)28-3)24-21(26)20-19(15-7-5-4-6-8-15)25(20)17-11-9-16(23)10-12-17/h4-12,14,18-20H,13H2,1-3H3,(H,24,26)/t18-,19+,20-,25?/m0/s1