2-[[(2S)-2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoyl]oxyamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[(2S)-2-azanyl-3-(3-iodanyl-4-oxidanyl-phenyl)propanoyl]oxyamino]-3-phenyl-propanoic acid Openeye Name: 2-[[(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoyl]oxyamino]-3-phenyl-propanoic acid CAS Name: 2-[[(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)-1-oxopropoxy]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[(2S)-2-amino-3-(4-hydroxy-3-iodophenyl)propanoyl]oxyamino]-3-phenylpropanoic acid Traditional Name: 2-[[(2S)-2-amino-3-(4-hydroxy-3-iodo-phenyl)propanoyl]oxyamino]-3-phenyl-propionic acid Formula: C18H19IN2O5 MolecularWeight: 470.25833

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NOC(=O)C(CC2=CC(=C(C=C2)O)I)N

Isomeric SMILES

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

InChI

InChI=1S/C18H19IN2O5/c19-13-8-12(6-7-16(13)22)9-14(20)18(25)26-21-15(17(23)24)10-11-4-2-1-3-5-11/h1-8,14-15,21-22H,9-10,20H2,(H,23,24)/t14-,15?/m0/s1