(3S)-3-azanyl-4-[[(2S)-3-(2-iodanylphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-3-(2-iodanylphenyl)-1-methoxy-1-oxidanylidene-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-1-[(2-iodophenyl)methyl]-2-methoxy-2-oxo-ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-3-(2-iodophenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-3-(2-iodophenyl)-1-methoxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-[[(1S)-1-(2-iodobenzyl)-2-keto-2-methoxy-ethyl]amino]-4-keto-butyric acid Formula: C14H17IN2O5 MolecularWeight: 420.19965

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1I)NC(=O)C(CC(=O)O)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1I)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C14H17IN2O5/c1-22-14(21)11(6-8-4-2-3-5-9(8)15)17-13(20)10(16)7-12(18)19/h2-5,10-11H,6-7,16H2,1H3,(H,17,20)(H,18,19)/t10-,11-/m0/s1