3-[3-[3-[[3-carboxy-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propyl]sulfonylpropanoylamino]-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-[3-[3-[[3-carboxy-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]amino]-3-oxidanylidene-propyl]sulfonylpropanoylamino]-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodo-anilino]-3-oxo-propyl]sulfonylpropanoylamino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[acetyl(ethyl)amino]-5-[[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropyl]sulfonyl-1-oxopropyl]amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodoanilino]-3-oxopropyl]sulfonylpropanoylamino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[acetyl(ethyl)amino]-5-[3-[3-[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodo-anilino]-3-keto-propyl]sulfonylpropanoylamino]-2,4,6-triiodo-benzoic acid Formula: C28H28I6N4O10S MolecularWeight: 1374.03454

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C(=C(C(=C1I)NC(=O)CCS(=O)(=O)CCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)N(CC)C(=O)C)I)I)C(=O)O)I)C(=O)C

Isomeric SMILES

CCN(C1=C(C(=C(C(=C1I)NC(=O)CCS(=O)(=O)CCC(=O)NC2=C(C(=C(C(=C2I)C(=O)O)I)N(CC)C(=O)C)I)I)C(=O)O)I)C(=O)C

InChI

InChI=1S/C28H28I6N4O10S/c1-5-37(11(3)39)25-19(31)15(27(43)44)17(29)23(21(25)33)35-13(41)7-9-49(47,48)10-8-14(42)36-24-18(30)16(28(45)46)20(32)26(22(24)34)38(6-2)12(4)40/h5-10H2,1-4H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46)