4-azanyl-5-[[1-(carboxymethylamino)-3-ethanoylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 4-azanyl-5-[[1-(carboxymethylamino)-3-ethanoylsulfanyl-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-[[1-(acetylsulfanylmethyl)-2-(carboxymethylamino)-2-oxo-ethyl]amino]-4-amino-5-oxo-pentanoic acid CAS Name: 5-[[3-(acetylthio)-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-4-amino-5-oxopentanoic acid IUPAC Name: 5-[[3-acetylsulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-4-amino-5-oxopentanoic acid Traditional Name: 5-[[1-[(acetylthio)methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-4-amino-5-keto-valeric acid Formula: C12H19N3O7S MolecularWeight: 349.36016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N3O7S/c1-6(16)23-5-8(12(22)14-4-10(19)20)15-11(21)7(13)2-3-9(17)18/h7-8H,2-5,13H2,1H3,(H,14,22)(H,15,21)(H,17,18)(H,19,20)