(2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-[2-[(5-oxidanyl-1H-indol-3-yl)carbonylamino]ethanoylamino]propanoic acid

Systemtic Name: (2S)-3-(3-iodanyl-4-oxidanyl-phenyl)-2-[2-[(5-oxidanyl-1H-indol-3-yl)carbonylamino]ethanoylamino]propanoic acid Openeye Name: (2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodo-phenyl)propanoic acid CAS Name: (2S)-2-[[2-[[(5-hydroxy-1H-indol-3-yl)-oxomethyl]amino]-1-oxoethyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid IUPAC Name: (2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodophenyl)propanoic acid Traditional Name: (2S)-2-[[2-[(5-hydroxy-1H-indole-3-carbonyl)amino]acetyl]amino]-3-(4-hydroxy-3-iodo-phenyl)propionic acid Formula: C20H18IN3O6 MolecularWeight: 523.27789

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CC(C(=O)O)NC(=O)CNC(=O)C2=CNC3=C2C=C(C=C3)O)I)O

Isomeric SMILES

C1=CC(=C(C=C1C[C@@H](C(=O)O)NC(=O)CNC(=O)C2=CNC3=C2C=C(C=C3)O)I)O

InChI

InChI=1S/C20H18IN3O6/c21-14-5-10(1-4-17(14)26)6-16(20(29)30)24-18(27)9-23-19(28)13-8-22-15-3-2-11(25)7-12(13)15/h1-5,7-8,16,22,25-26H,6,9H2,(H,23,28)(H,24,27)(H,29,30)/t16-/m0/s1