3-azanyl-6-[[1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 3-azanyl-6-[[1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 3-amino-6-[[2-(carboxymethylamino)-2-oxo-1-(sulfanylmethyl)ethyl]amino]-6-oxo-hexanoic acid CAS Name: 3-amino-6-[[1-(carboxymethylamino)-3-mercapto-1-oxopropan-2-yl]amino]-6-oxohexanoic acid IUPAC Name: 3-amino-6-[[1-(carboxymethylamino)-1-oxo-3-sulfanylpropan-2-yl]amino]-6-oxohexanoic acid Traditional Name: 3-amino-6-[[2-(carboxymethylamino)-2-keto-1-(mercaptomethyl)ethyl]amino]-6-keto-hexanoic acid Formula: C11H19N3O6S MolecularWeight: 321.35006

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(CC(=O)O)N

Isomeric SMILES

C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(CC(=O)O)N

InChI

InChI=1S/C11H19N3O6S/c12-6(3-9(16)17)1-2-8(15)14-7(5-21)11(20)13-4-10(18)19/h6-7,21H,1-5,12H2,(H,13,20)(H,14,15)(H,16,17)(H,18,19)