2-[2-[2-(carboxymethylamino)ethylamino]ethyl-phosphono-amino]-2-methyl-3-oxidanylidene-3-(3-oxidanylpropylamino)propanoic acid

Systemtic Name: 2-[2-[2-(carboxymethylamino)ethylamino]ethyl-phosphono-amino]-2-methyl-3-oxidanylidene-3-(3-oxidanylpropylamino)propanoic acid Openeye Name: 2-[2-[2-(carboxymethylamino)ethylamino]ethyl-phosphono-amino]-3-(3-hydroxypropylamino)-2-methyl-3-oxo-propanoic acid CAS Name: 2-[2-[2-(carboxymethylamino)ethylamino]ethyl-phosphonoamino]-3-(3-hydroxypropylamino)-2-methyl-3-oxopropanoic acid IUPAC Name: 2-[2-[2-(carboxymethylamino)ethylamino]ethyl-phosphonoamino]-3-(3-hydroxypropylamino)-2-methyl-3-oxopropanoic acid Traditional Name: 2-[2-[2-(carboxymethylamino)ethylamino]ethyl-phosphono-amino]-3-(3-hydroxypropylamino)-3-keto-2-methyl-propionic acid Formula: C13H27N4O9P MolecularWeight: 414.348641

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCO)(C(=O)O)N(CCNCCNCC(=O)O)P(=O)(O)O

Isomeric SMILES

CC(C(=O)NCCCO)(C(=O)O)N(CCNCCNCC(=O)O)P(=O)(O)O

InChI

InChI=1S/C13H27N4O9P/c1-13(12(22)23,11(21)16-3-2-8-18)17(27(24,25)26)7-6-14-4-5-15-9-10(19)20/h14-15,18H,2-9H2,1H3,(H,16,21)(H,19,20)(H,22,23)(H2,24,25,26)