iodanylmethyl 4-[2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxyethyl]benzoate

Systemtic Name: iodanylmethyl 4-[2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxyethyl]benzoate Openeye Name: iodomethyl 4-[2-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxyethyl]benzoate CAS Name: 4-[2-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]ethyl]benzoic acid iodomethyl ester IUPAC Name: iodomethyl 4-[2-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxyethyl]benzoate Traditional Name: 4-[2-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxyethyl]benzoic acid iodomethyl ester Formula: C23H26INO6 MolecularWeight: 539.36011

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCC1=CC=C(C=C1)C(=O)OCI)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCC1=CC=C(C=C1)C(=O)OCI)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H26INO6/c1-16(2)20(25-23(28)30-14-18-6-4-3-5-7-18)22(27)29-13-12-17-8-10-19(11-9-17)21(26)31-15-24/h3-11,16,20H,12-15H2,1-2H3,(H,25,28)/t20-/m0/s1