2-azanyl-5-[[1-(carboxymethylamino)-3-(2,2-dimethylpropanoylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid dihydrate hydrochloride

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-(2,2-dimethylpropanoylsulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid dihydrate hydrochloride Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-(2,2-dimethylpropanoylsulfanylmethyl)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid dihydrate hydrochloride CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-[(2,2-dimethyl-1-oxopropyl)thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid dihydrate hydrochloride IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2,2-dimethylpropanoylsulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid dihydrate hydrochloride Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-2-keto-1-[(pivaloylthio)methyl]ethyl]amino]-5-keto-valeric acid dihydrate hydrochloride Formula: C15H30ClN3O9S MolecularWeight: 463.9314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25N3O7S.ClH.2H2O/c1-15(2,3)14(25)26-7-9(12(22)17-6-11(20)21)18-10(19)5-4-8(16)13(23)24;;;/h8-9H,4-7,16H2,1-3H3,(H,17,22)(H,18,19)(H,20,21)(H,23,24);1H;2*1H2