(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-oxidanylidene-2-prop-2-enoxy-ethyl)-phenylmethoxycarbonyl-amino]propanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-oxidanylidene-2-prop-2-enoxy-ethyl)-phenylmethoxycarbonyl-amino]propanoic acid Openeye Name: (2S)-3-[(2-allyloxy-2-oxo-ethyl)-benzyloxycarbonyl-amino]-2-(tert-butoxycarbonylamino)propanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[(2-oxo-2-prop-2-enoxyethyl)-phenylmethoxycarbonylamino]propanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-oxo-2-prop-2-enoxyethyl)-phenylmethoxycarbonylamino]propanoic acid Traditional Name: (2S)-3-[(2-allyloxy-2-keto-ethyl)-carbobenzoxy-amino]-2-(tert-butoxycarbonylamino)propionic acid Formula: C21H28N2O8 MolecularWeight: 436.45562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O8/c1-5-11-29-17(24)13-23(20(28)30-14-15-9-7-6-8-10-15)12-16(18(25)26)22-19(27)31-21(2,3)4/h5-10,16H,1,11-14H2,2-4H3,(H,22,27)(H,25,26)/t16-/m0/s1