propan-2-yl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate

Systemtic Name: propan-2-yl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Openeye Name: isopropyl 2-(benzyloxycarbonylamino)-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[3-(4-methylphenyl)sulfonyloxyphenyl]-2-(phenylmethoxycarbonylamino)propanoate Traditional Name: 2-(benzyloxycarbonylamino)-3-(3-tosyloxyphenyl)propionic acid isopropyl ester Formula: C27H29NO7S MolecularWeight: 511.58666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OC(C)C)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OC(C)C)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H29NO7S/c1-19(2)34-26(29)25(28-27(30)33-18-21-8-5-4-6-9-21)17-22-10-7-11-23(16-22)35-36(31,32)24-14-12-20(3)13-15-24/h4-16,19,25H,17-18H2,1-3H3,(H,28,30)