2-azanyl-5-[[2-(carboxymethylamino)-1-ethanoylsulfanyl-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[2-(carboxymethylamino)-1-ethanoylsulfanyl-2-oxidanylidene-ethyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-acetylsulfanyl-2-(carboxymethylamino)-2-oxo-ethyl]amino]-2-amino-5-oxo-pentanoic acid CAS Name: 5-[[1-(acetylthio)-2-(carboxymethylamino)-2-oxoethyl]amino]-2-amino-5-oxopentanoic acid IUPAC Name: 5-[[1-acetylsulfanyl-2-(carboxymethylamino)-2-oxoethyl]amino]-2-amino-5-oxopentanoic acid Traditional Name: 5-[[1-(acetylthio)-2-(carboxymethylamino)-2-keto-ethyl]amino]-2-amino-5-keto-valeric acid Formula: C11H17N3O7S MolecularWeight: 335.33358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O7S/c1-5(15)22-10(9(19)13-4-8(17)18)14-7(16)3-2-6(12)11(20)21/h6,10H,2-4,12H2,1H3,(H,13,19)(H,14,16)(H,17,18)(H,20,21)