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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-1-oxidanylidene-3-(3-oxidanylidenecyclohexyl)sulfanyl-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-2-oxo-1-[(3-oxocyclohexyl)sulfanylmethyl]ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-[(3-oxocyclohexyl)thio]propan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-1-oxo-3-(3-oxocyclohexyl)sulfanylpropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[[(3-ketocyclohexyl)thio]methyl]ethyl]amino]-5-keto-valeric acid Formula: C16H25N3O7S MolecularWeight: 403.4506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC(=O)C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

Isomeric SMILES

C1CC(CC(=O)C1)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N

InChI

InChI=1S/C16H25N3O7S/c17-11(16(25)26)4-5-13(21)19-12(15(24)18-7-14(22)23)8-27-10-3-1-2-9(20)6-10/h10-12H,1-8,17H2,(H,18,24)(H,19,21)(H,22,23)(H,25,26)