2-acetamido-5-[[1-(carboxymethylamino)-3-nitrososulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-acetamido-5-[[1-(carboxymethylamino)-3-nitrososulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-[[2-(carboxymethylamino)-1-(nitrososulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-[[1-(carboxymethylamino)-3-(nitrosothio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-[[1-(carboxymethylamino)-3-nitrososulfanyl-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-acetamido-5-[[2-(carboxymethylamino)-2-keto-1-[(nitrosothio)methyl]ethyl]amino]-5-keto-valeric acid Formula: C12H18N4O8S MolecularWeight: 378.35832

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC(=O)NC(CSN=O)C(=O)NCC(=O)O)C(=O)O

InChI

InChI=1S/C12H18N4O8S/c1-6(17)14-7(12(22)23)2-3-9(18)15-8(5-25-16-24)11(21)13-4-10(19)20/h7-8H,2-5H2,1H3,(H,13,21)(H,14,17)(H,15,18)(H,19,20)(H,22,23)