2-azanyl-5-[[1-(carboxymethylamino)-3-[(4-iodophenyl)-oxidanyl-carbamoyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-[(4-iodophenyl)-oxidanyl-carbamoyl]sulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[hydroxy-(4-iodophenyl)carbamoyl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[[(N-hydroxy-4-iodoanilino)-oxomethyl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-[hydroxy-(4-iodophenyl)carbamoyl]sulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[[[hydroxy-(4-iodophenyl)carbamoyl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C17H21IN4O8S MolecularWeight: 568.34011

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)I

Isomeric SMILES

C1=CC(=CC=C1N(C(=O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)O)I

InChI

InChI=1S/C17H21IN4O8S/c18-9-1-3-10(4-2-9)22(30)17(29)31-8-12(15(26)20-7-14(24)25)21-13(23)6-5-11(19)16(27)28/h1-4,11-12,30H,5-8,19H2,(H,20,26)(H,21,23)(H,24,25)(H,27,28)