2-azanyl-5-[[1-[carboxymethyl(ethyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-[carboxymethyl(ethyl)amino]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-[carboxymethyl(ethyl)amino]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-[carboxymethyl(ethyl)amino]-3-mercapto-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-[carboxymethyl(ethyl)amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-[carboxymethyl(ethyl)amino]-2-keto-1-(mercaptomethyl)ethyl]amino]-5-keto-valeric acid Formula: C12H21N3O6S MolecularWeight: 335.37664

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)O)C(=O)C(CS)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

CCN(CC(=O)O)C(=O)C(CS)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C12H21N3O6S/c1-2-15(5-10(17)18)11(19)8(6-22)14-9(16)4-3-7(13)12(20)21/h7-8,22H,2-6,13H2,1H3,(H,14,16)(H,17,18)(H,20,21)