2-azanyl-5-[[1-(carboxymethylamino)-3-[(3-iodanylphenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(3-iodanylphenyl)methylsulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(3-iodophenyl)methylsulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(3-iodophenyl)methylthio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(3-iodophenyl)methylsulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[(3-iodobenzyl)thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H22IN3O6S MolecularWeight: 523.34255

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)I)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)I)CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C17H22IN3O6S/c18-11-3-1-2-10(6-11)8-28-9-13(16(25)20-7-15(23)24)21-14(22)5-4-12(19)17(26)27/h1-3,6,12-13H,4-5,7-9,19H2,(H,20,25)(H,21,22)(H,23,24)(H,26,27)