methyl (2S)-2-(hexanoylamino)-3-(4-iodophenyl)propanoate

Systemtic Name: methyl (2S)-2-(hexanoylamino)-3-(4-iodophenyl)propanoate Openeye Name: methyl (2S)-2-(hexanoylamino)-3-(4-iodophenyl)propanoate CAS Name: (2S)-3-(4-iodophenyl)-2-(1-oxohexylamino)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(hexanoylamino)-3-(4-iodophenyl)propanoate Traditional Name: (2S)-2-(caproylamino)-3-(4-iodophenyl)propionic acid methyl ester Formula: C16H22INO3 MolecularWeight: 403.25525

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22INO3/c1-3-4-5-6-15(19)18-14(16(20)21-2)11-12-7-9-13(17)10-8-12/h7-10,14H,3-6,11H2,1-2H3,(H,18,19)/t14-/m0/s1