(phenylmethyl) (3S)-3-azanyl-4-[butyl-[(2-iodanylphenyl)methyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-3-azanyl-4-[butyl-[(2-iodanylphenyl)methyl]amino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-amino-4-[butyl-[(2-iodophenyl)methyl]amino]-4-oxo-butanoate CAS Name: (3S)-3-amino-4-[butyl-[(2-iodophenyl)methyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-3-amino-4-[butyl-[(2-iodophenyl)methyl]amino]-4-oxobutanoate Traditional Name: (3S)-3-amino-4-[butyl-(2-iodobenzyl)amino]-4-keto-butyric acid benzyl ester Formula: C22H27IN2O3 MolecularWeight: 494.36585

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC=C1I)C(=O)C(CC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

CCCCN(CC1=CC=CC=C1I)C(=O)[C@H](CC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C22H27IN2O3/c1-2-3-13-25(15-18-11-7-8-12-19(18)23)22(27)20(24)14-21(26)28-16-17-9-5-4-6-10-17/h4-12,20H,2-3,13-16,24H2,1H3/t20-/m0/s1