O1-methyl O4-(phenylmethyl) 3-(2-azanylethyl)-2,2-dimethyl-3-phosphonooxy-butanedioate

Systemtic Name: O1-methyl O4-(phenylmethyl) 3-(2-azanylethyl)-2,2-dimethyl-3-phosphonooxy-butanedioate Openeye Name: O1-benzyl O4-methyl 2-(2-aminoethyl)-3,3-dimethyl-2-phosphonooxy-butanedioate CAS Name: 3-(2-aminoethyl)-2,2-dimethyl-3-phosphonooxybutanedioic acid O1-methyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-methyl 3-(2-aminoethyl)-2,2-dimethyl-3-phosphonooxybutanedioate Traditional Name: 2-(2-aminoethyl)-3,3-dimethyl-2-phosphonooxy-succinic acid O1-benzyl ester O4-methyl ester Formula: C16H24NO8P MolecularWeight: 389.337421

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)C(CCN)(C(=O)OCC1=CC=CC=C1)OP(=O)(O)O

Isomeric SMILES

CC(C)(C(=O)OC)C(CCN)(C(=O)OCC1=CC=CC=C1)OP(=O)(O)O

InChI

InChI=1S/C16H24NO8P/c1-15(2,13(18)23-3)16(9-10-17,25-26(20,21)22)14(19)24-11-12-7-5-4-6-8-12/h4-8H,9-11,17H2,1-3H3,(H2,20,21,22)