3-[2-[(2-chlorophenyl)methoxycarbonyl-methyl-amino]oxyethanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 3-[2-[(2-chlorophenyl)methoxycarbonyl-methyl-amino]oxyethanoylamino]-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-[[2-[(2-chlorophenyl)methoxycarbonyl-methyl-amino]oxyacetyl]amino]propanoic acid CAS Name: 3-[[2-[[(2-chlorophenyl)methoxy-oxomethyl]-methylamino]oxy-1-oxoethyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 3-[[2-[(2-chlorophenyl)methoxycarbonyl-methylamino]oxyacetyl]amino]-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-[[2-[(2-chlorobenzyl)oxycarbonyl-methyl-amino]oxyacetyl]amino]propionic acid Formula: C22H24ClN3O8 MolecularWeight: 493.89426

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)OCC1=CC=CC=C1Cl)OCC(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CN(C(=O)OCC1=CC=CC=C1Cl)OCC(=O)NCC(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H24ClN3O8/c1-26(22(31)33-13-16-9-5-6-10-17(16)23)34-14-19(27)24-11-18(20(28)29)25-21(30)32-12-15-7-3-2-4-8-15/h2-10,18H,11-14H2,1H3,(H,24,27)(H,25,30)(H,28,29)