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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-(2-cyanoethylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-(2-cyanoethylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2-cyanoethylthio)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2-cyanoethylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(2-cyanoethylthio)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C13H20N4O6S MolecularWeight: 360.3861

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Descriptors Computed from Structure

Canonical SMILES:

C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C#N

Isomeric SMILES

C(CSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C#N

InChI

InChI=1S/C13H20N4O6S/c14-4-1-5-24-7-9(12(21)16-6-11(19)20)17-10(18)3-2-8(15)13(22)23/h8-9H,1-3,5-7,15H2,(H,16,21)(H,17,18)(H,19,20)(H,22,23)