3,6-dimethyl-1,4-dioxane-2,5-dione; 2-[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]oxyethyl 2-azanyl-3-oxidanyl-propanoate

Systemtic Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; 2-[3-oxidanyl-2-(phenylmethoxycarbonylamino)propanoyl]oxyethyl 2-azanyl-3-oxidanyl-propanoate Openeye Name: 2-[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]oxyethyl 2-amino-3-hydroxy-propanoate; 3,6-dimethyl-1,4-dioxane-2,5-dione CAS Name: 2-amino-3-hydroxypropanoic acid 2-[3-hydroxy-1-oxo-2-(phenylmethoxycarbonylamino)propoxy]ethyl ester; 3,6-dimethyl-1,4-dioxane-2,5-dione IUPAC Name: 3,6-dimethyl-1,4-dioxane-2,5-dione; 2-[3-hydroxy-2-(phenylmethoxycarbonylamino)propanoyl]oxyethyl 2-amino-3-hydroxypropanoate Traditional Name: 2-amino-3-hydroxy-propionic acid 2-[2-(benzyloxycarbonylamino)-3-hydroxy-propanoyl]oxyethyl ester; 3,6-dimethyl-1,4-dioxane-2,5-quinone Formula: C22H30N2O12 MolecularWeight: 514.4798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)OC(C(=O)O1)C.C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)OCCOC(=O)C(CO)N

Isomeric SMILES

CC1C(=O)OC(C(=O)O1)C.C1=CC=C(C=C1)COC(=O)NC(CO)C(=O)OCCOC(=O)C(CO)N

InChI

InChI=1S/C16H22N2O8.C6H8O4/c17-12(8-19)14(21)24-6-7-25-15(22)13(9-20)18-16(23)26-10-11-4-2-1-3-5-11;1-3-5(7)10-4(2)6(8)9-3/h1-5,12-13,19-20H,6-10,17H2,(H,18,23);3-4H,1-2H3