(phenylmethyl) (2S)-3-methyl-2-[[3-phenyl-1-(phenylmethyl)aziridin-2-yl]carbonylamino]butanoate

Systemtic Name: (phenylmethyl) (2S)-3-methyl-2-[[3-phenyl-1-(phenylmethyl)aziridin-2-yl]carbonylamino]butanoate Openeye Name: benzyl (2S)-2-[(1-benzyl-3-phenyl-aziridine-2-carbonyl)amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[3-phenyl-1-(phenylmethyl)-2-aziridinyl]methyl]amino]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-[(1-benzyl-3-phenylaziridine-2-carbonyl)amino]-3-methylbutanoate Traditional Name: (2S)-2-[(1-benzyl-3-phenyl-ethylenimine-2-carbonyl)amino]-3-methyl-butyric acid benzyl ester Formula: C28H30N2O3 MolecularWeight: 442.5494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CC=CC=C1)NC(=O)C2C(N2CC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CC=CC=C1)NC(=O)C2C(N2CC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H30N2O3/c1-20(2)24(28(32)33-19-22-14-8-4-9-15-22)29-27(31)26-25(23-16-10-5-11-17-23)30(26)18-21-12-6-3-7-13-21/h3-17,20,24-26H,18-19H2,1-2H3,(H,29,31)/t24-,25?,26?,30?/m0/s1