2-(3-iodanyl-4-oxidanyl-phenyl)-2-[[(2S)-4-methyl-1-oxidanylidene-1-propan-2-yloxy-pentan-2-yl]carbamoylamino]ethanoic acid

Systemtic Name: 2-(3-iodanyl-4-oxidanyl-phenyl)-2-[[(2S)-4-methyl-1-oxidanylidene-1-propan-2-yloxy-pentan-2-yl]carbamoylamino]ethanoic acid Openeye Name: 2-(4-hydroxy-3-iodo-phenyl)-2-[[(1S)-1-isopropoxycarbonyl-3-methyl-butyl]carbamoylamino]acetic acid CAS Name: 2-(4-hydroxy-3-iodophenyl)-2-[[[[(2S)-4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl]amino]-oxomethyl]amino]acetic acid IUPAC Name: 2-(4-hydroxy-3-iodophenyl)-2-[[(2S)-4-methyl-1-oxo-1-propan-2-yloxypentan-2-yl]carbamoylamino]acetic acid Traditional Name: 2-(4-hydroxy-3-iodo-phenyl)-2-[[(1S)-1-isopropoxycarbonyl-3-methyl-butyl]carbamoylamino]acetic acid Formula: C18H25IN2O6 MolecularWeight: 492.30537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC(C)C)NC(=O)NC(C1=CC(=C(C=C1)O)I)C(=O)O

InChI

InChI=1S/C18H25IN2O6/c1-9(2)7-13(17(25)27-10(3)4)20-18(26)21-15(16(23)24)11-5-6-14(22)12(19)8-11/h5-6,8-10,13,15,22H,7H2,1-4H3,(H,23,24)(H2,20,21,26)/t13-,15?/m0/s1