methyl (2S)-5-[(4-iodophenyl)amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (2S)-5-[(4-iodophenyl)amino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (2S)-2-(benzyloxycarbonylamino)-5-(4-iodoanilino)-5-oxo-pentanoate CAS Name: (2S)-5-(4-iodoanilino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-5-(4-iodoanilino)-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-(benzyloxycarbonylamino)-5-(4-iodoanilino)-5-keto-valeric acid methyl ester Formula: C20H21IN2O5 MolecularWeight: 496.29561

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC=C(C=C1)I)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC=C(C=C1)I)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C20H21IN2O5/c1-27-19(25)17(23-20(26)28-13-14-5-3-2-4-6-14)11-12-18(24)22-16-9-7-15(21)8-10-16/h2-10,17H,11-13H2,1H3,(H,22,24)(H,23,26)/t17-/m0/s1