2-azanyl-5-[[2-azanyl-3-[(2-iodanylphenyl)methylsulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[2-azanyl-3-[(2-iodanylphenyl)methylsulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-amino-3-[(2-iodophenyl)methylsulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[2-amino-3-[(2-iodophenyl)methylthio]-1-oxopropyl]-(carboxymethyl)amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[2-amino-3-[(2-iodophenyl)methylsulfanyl]propanoyl]-(carboxymethyl)amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-amino-3-[(2-iodobenzyl)thio]propanoyl]-(carboxymethyl)amino]-5-keto-valeric acid Formula: C17H22IN3O6S MolecularWeight: 523.34255

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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