2-acetamido-5-bis[(4-acetamido-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy]phosphoryloxy-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-acetamido-5-bis[(4-acetamido-5-oxidanyl-5-oxidanylidene-pentanoyl)oxy]phosphoryloxy-5-oxidanylidene-pentanoic acid Openeye Name: 2-acetamido-5-bis[(4-acetamido-5-hydroxy-5-oxo-pentanoyl)oxy]phosphoryloxy-5-oxo-pentanoic acid CAS Name: 2-acetamido-5-bis(4-acetamido-5-hydroxy-1,5-dioxopentoxy)phosphoryloxy-5-oxopentanoic acid IUPAC Name: 2-acetamido-5-bis[(4-acetamido-5-hydroxy-5-oxopentanoyl)oxy]phosphoryloxy-5-oxopentanoic acid Traditional Name: 2-acetamido-5-bis[(4-acetamido-5-hydroxy-5-keto-pentanoyl)oxy]phosphoryloxy-5-keto-valeric acid Formula: C21H30N3O16P MolecularWeight: 611.447161

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)OP(=O)(OC(=O)CCC(C(=O)O)NC(=O)C)OC(=O)CCC(C(=O)O)NC(=O)C)C(=O)O

Isomeric SMILES

CC(=O)NC(CCC(=O)OP(=O)(OC(=O)CCC(C(=O)O)NC(=O)C)OC(=O)CCC(C(=O)O)NC(=O)C)C(=O)O

InChI

InChI=1S/C21H30N3O16P/c1-10(25)22-13(19(31)32)4-7-16(28)38-41(37,39-17(29)8-5-14(20(33)34)23-11(2)26)40-18(30)9-6-15(21(35)36)24-12(3)27/h13-15H,4-9H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,31,32)(H,33,34)(H,35,36)