methyl (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-[[(2S,3S)-3-methyl-2-oxidanyl-pentanoyl]amino]propanoate

Systemtic Name: methyl (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-[[(2S,3S)-3-methyl-2-oxidanyl-pentanoyl]amino]propanoate Openeye Name: methyl (2S)-3-(4-hydroxy-3-iodo-phenyl)-2-[[(2S,3S)-2-hydroxy-3-methyl-pentanoyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxy-3-iodophenyl)-2-[[(2S,3S)-2-hydroxy-3-methyl-1-oxopentyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(4-hydroxy-3-iodophenyl)-2-[[(2S,3S)-2-hydroxy-3-methylpentanoyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxy-3-iodo-phenyl)-2-[[(2S,3S)-2-hydroxy-3-methyl-pentanoyl]amino]propionic acid methyl ester Formula: C16H22INO5 MolecularWeight: 435.25405

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC(=C(C=C1)O)I)C(=O)OC)O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC(=C(C=C1)O)I)C(=O)OC)O

InChI

InChI=1S/C16H22INO5/c1-4-9(2)14(20)15(21)18-12(16(22)23-3)8-10-5-6-13(19)11(17)7-10/h5-7,9,12,14,19-20H,4,8H2,1-3H3,(H,18,21)/t9-,12-,14-/m0/s1