methyl (2S)-2-[[(2R)-2-azanyl-2-(3-iodanyl-4-methoxy-phenyl)ethanoyl]amino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-azanyl-2-(3-iodanyl-4-methoxy-phenyl)ethanoyl]amino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[(2R)-2-amino-2-(3-iodo-4-methoxy-phenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[(2R)-2-amino-2-(3-iodo-4-methoxyphenyl)-1-oxoethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-amino-2-(3-iodo-4-methoxyphenyl)acetyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[(2R)-2-amino-2-(3-iodo-4-methoxy-phenyl)acetyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C19H21IN2O5 MolecularWeight: 484.28491

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C(=O)NC(CC2=CC=C(C=C2)O)C(=O)OC)N)I

Isomeric SMILES

COC1=C(C=C(C=C1)[C@H](C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)OC)N)I

InChI

InChI=1S/C19H21IN2O5/c1-26-16-8-5-12(10-14(16)20)17(21)18(24)22-15(19(25)27-2)9-11-3-6-13(23)7-4-11/h3-8,10,15,17,23H,9,21H2,1-2H3,(H,22,24)/t15-,17+/m0/s1