2-azanyl-5-[[3-[1-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-3-oxidanyl-propan-2-yl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-5-[[3-[1-(2-azanyl-6-oxidanylidene-3H-purin-7-yl)-3-oxidanyl-propan-2-yl]sulfanyl-1-(carboxymethylamino)-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-5-[[1-[[1-[(2-amino-6-oxo-3H-purin-7-yl)methyl]-2-hydroxy-ethyl]sulfanylmethyl]-2-(carboxymethylamino)-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: 2-amino-5-[[3-[[1-(2-amino-6-oxo-3H-purin-7-yl)-3-hydroxypropan-2-yl]thio]-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-5-[[3-[1-(2-amino-6-oxo-3H-purin-7-yl)-3-hydroxypropan-2-yl]sulfanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-5-[[1-[[[1-[(2-amino-6-keto-3H-purin-7-yl)methyl]-2-hydroxy-ethyl]thio]methyl]-2-(carboxymethylamino)-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C18H26N8O8S MolecularWeight: 514.51284

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1CC(CO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)N=C(N2)N

Isomeric SMILES

C1=NC2=C(N1CC(CO)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(=O)N=C(N2)N

InChI

InChI=1S/C18H26N8O8S/c19-9(17(33)34)1-2-11(28)23-10(15(31)21-3-12(29)30)6-35-8(5-27)4-26-7-22-14-13(26)16(32)25-18(20)24-14/h7-10,27H,1-6,19H2,(H,21,31)(H,23,28)(H,29,30)(H,33,34)(H3,20,24,25,32)