tert-butyl (2S)-2-azanyl-3-[(2-oxidanylidene-2-prop-2-enoxy-ethyl)-phenylmethoxycarbonyl-amino]propanoate

Systemtic Name: tert-butyl (2S)-2-azanyl-3-[(2-oxidanylidene-2-prop-2-enoxy-ethyl)-phenylmethoxycarbonyl-amino]propanoate Openeye Name: tert-butyl (2S)-3-[(2-allyloxy-2-oxo-ethyl)-benzyloxycarbonyl-amino]-2-amino-propanoate CAS Name: (2S)-2-amino-3-[(2-oxo-2-prop-2-enoxyethyl)-phenylmethoxycarbonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-amino-3-[(2-oxo-2-prop-2-enoxyethyl)-phenylmethoxycarbonylamino]propanoate Traditional Name: (2S)-3-[(2-allyloxy-2-keto-ethyl)-carbobenzoxy-amino]-2-amino-propionic acid tert-butyl ester Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CN(CC(=O)OCC=C)C(=O)OCC1=CC=CC=C1)N

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](CN(CC(=O)OCC=C)C(=O)OCC1=CC=CC=C1)N

InChI

InChI=1S/C20H28N2O6/c1-5-11-26-17(23)13-22(12-16(21)18(24)28-20(2,3)4)19(25)27-14-15-9-7-6-8-10-15/h5-10,16H,1,11-14,21H2,2-4H3/t16-/m0/s1