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

Systemtic Name: 2-azanyl-5-[[1-(carboxymethylamino)-3-(2,3-dinitrooxypropyldisulfanyl)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(2,3-dinitrooxypropyldisulfanyl)methyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2,3-dinitrooxypropyldisulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[1-(carboxymethylamino)-3-(2,3-dinitrooxypropyldisulfanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[2-(carboxymethylamino)-1-[(2,3-dinitrooxypropyldisulfanyl)methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C13H21N5O12S2 MolecularWeight: 503.46214

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(=O)NC(CSSCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)NCC(=O)O)C(C(=O)O)N

Isomeric SMILES

C(CC(=O)NC(CSSCC(CO[N+](=O)[O-])O[N+](=O)[O-])C(=O)NCC(=O)O)C(C(=O)O)N

InChI

InChI=1S/C13H21N5O12S2/c14-8(13(23)24)1-2-10(19)16-9(12(22)15-3-11(20)21)6-32-31-5-7(30-18(27)28)4-29-17(25)26/h7-9H,1-6,14H2,(H,15,22)(H,16,19)(H,20,21)(H,23,24)