2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-sulfanyl-butan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-(carboxymethylcarbamoyl)-2-sulfanyl-propyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-mercapto-1-oxobutan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-sulfanylbutan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-(carboxymethylcarbamoyl)-2-mercapto-propyl]amino]-5-keto-valeric acid Formula: C11H19N3O6S MolecularWeight: 321.35006

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)S

Isomeric SMILES

CC(C(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)S

InChI

InChI=1S/C11H19N3O6S/c1-5(21)9(10(18)13-4-8(16)17)14-7(15)3-2-6(12)11(19)20/h5-6,9,21H,2-4,12H2,1H3,(H,13,18)(H,14,15)(H,16,17)(H,19,20)