3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)ethanoyl]amino]-3-oxidanylidene-propanoic acid

Systemtic Name: 3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)ethanoyl]amino]-3-oxidanylidene-propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)acetyl]amino]-3-ethoxy-3-oxo-propanoic acid CAS Name: 3-ethoxy-2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]-3-oxopropanoic acid IUPAC Name: 3-ethoxy-2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)acetyl]amino]-3-oxopropanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)acetyl]amino]-3-ethoxy-3-keto-propionic acid Formula: C20H27N3O9 MolecularWeight: 453.44308

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)O)NC(=O)C(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C(=O)O)NC(=O)C(NC(=O)OCC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H27N3O9/c1-5-30-17(27)13(16(25)26)21-15(24)14(23-19(29)32-20(2,3)4)22-18(28)31-11-12-9-7-6-8-10-12/h6-10,13-14H,5,11H2,1-4H3,(H,21,24)(H,22,28)(H,23,29)(H,25,26)