methyl (2S)-2-[[1-(2-methoxy-2-oxidanylidene-ethyl)aziridin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(2-methoxy-2-oxidanylidene-ethyl)aziridin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-(2-methoxy-2-oxo-ethyl)aziridine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-(2-methoxy-2-oxoethyl)-2-aziridinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(2-methoxy-2-oxoethyl)aziridine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(2-keto-2-methoxy-ethyl)ethylenimine-2-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CC1C(=O)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)CN1CC1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H20N2O5/c1-22-14(19)10-18-9-13(18)15(20)17-12(16(21)23-2)8-11-6-4-3-5-7-11/h3-7,12-13H,8-10H2,1-2H3,(H,17,20)/t12-,13?,18?/m0/s1