(phenylmethyl) 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxysulfonyl]-2-phenyl-butanoate

Systemtic Name: (phenylmethyl) 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxysulfonyl]-2-phenyl-butanoate Openeye Name: benzyl 4-[2-(tert-butoxycarbonylamino)propanoyloxysulfonyl]-2-phenyl-butanoate CAS Name: 4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]sulfonyl-2-phenylbutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyloxysulfonyl]-2-phenylbutanoate Traditional Name: 4-[2-(tert-butoxycarbonylamino)propanoyloxysulfonyl]-2-phenyl-butyric acid benzyl ester Formula: C25H31NO8S MolecularWeight: 505.58054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OS(=O)(=O)CCC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)OS(=O)(=O)CCC(C1=CC=CC=C1)C(=O)OCC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H31NO8S/c1-18(26-24(29)33-25(2,3)4)22(27)34-35(30,31)16-15-21(20-13-9-6-10-14-20)23(28)32-17-19-11-7-5-8-12-19/h5-14,18,21H,15-17H2,1-4H3,(H,26,29)