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

Systemtic Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-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-(tert-butoxycarbonylamino)propanoate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(2-oxo-2-prop-2-enoxyethyl)-phenylmethoxycarbonylamino]propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-oxo-2-prop-2-enoxyethyl)-phenylmethoxycarbonylamino]propanoate Traditional Name: (2S)-3-[(2-allyloxy-2-keto-ethyl)-carbobenzoxy-amino]-2-(tert-butoxycarbonylamino)propionic acid tert-butyl ester Formula: C25H36N2O8 MolecularWeight: 492.56194

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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)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O8/c1-8-14-32-20(28)16-27(23(31)33-17-18-12-10-9-11-13-18)15-19(21(29)34-24(2,3)4)26-22(30)35-25(5,6)7/h8-13,19H,1,14-17H2,2-7H3,(H,26,30)/t19-/m0/s1