5-[[3-(5-aminocarbonyl-2-iodanyl-3-nitro-phenyl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[[3-(5-aminocarbonyl-2-iodanyl-3-nitro-phenyl)sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-2-azanyl-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[(5-carbamoyl-2-iodo-3-nitro-phenyl)sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[(5-carbamoyl-2-iodo-3-nitrophenyl)thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-(5-carbamoyl-2-iodo-3-nitrophenyl)sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[(5-carbamoyl-2-iodo-3-nitro-phenyl)thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H20IN5O9S MolecularWeight: 597.33827

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1[N+](=O)[O-])I)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)N

Isomeric SMILES

C1=C(C=C(C(=C1[N+](=O)[O-])I)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)N

InChI

InChI=1S/C17H20IN5O9S/c18-14-10(23(31)32)3-7(15(20)27)4-11(14)33-6-9(16(28)21-5-13(25)26)22-12(24)2-1-8(19)17(29)30/h3-4,8-9H,1-2,5-6,19H2,(H2,20,27)(H,21,28)(H,22,24)(H,25,26)(H,29,30)