methyl 4-[(Z,4R)-2-iodanyl-4-methyl-5-oxidanylidene-5-phenylazanyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate

Systemtic Name: methyl 4-[(Z,4R)-2-iodanyl-4-methyl-5-oxidanylidene-5-phenylazanyl-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Openeye Name: methyl 4-[(Z,4R)-5-anilino-1-(benzyloxycarbonylamino)-2-iodo-4-methyl-5-oxo-pent-2-enyl]benzoate CAS Name: 4-[(Z,4R)-5-anilino-2-iodo-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z,4R)-5-anilino-2-iodo-4-methyl-5-oxo-1-(phenylmethoxycarbonylamino)pent-2-enyl]benzoate Traditional Name: 4-[(Z,4R)-5-anilino-1-(benzyloxycarbonylamino)-2-iodo-5-keto-4-methyl-pent-2-enyl]benzoic acid methyl ester Formula: C28H27IN2O5 MolecularWeight: 598.42885

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=C(C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)I)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@H](/C=C(/C(C1=CC=C(C=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2)\I)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C28H27IN2O5/c1-19(26(32)30-23-11-7-4-8-12-23)17-24(29)25(21-13-15-22(16-14-21)27(33)35-2)31-28(34)36-18-20-9-5-3-6-10-20/h3-17,19,25H,18H2,1-2H3,(H,30,32)(H,31,34)/b24-17-/t19-,25?/m1/s1