O1-methyl O7-(phenylmethyl) (2S)-2,6-bis(azanyl)heptanedioate

Systemtic Name: O1-methyl O7-(phenylmethyl) (2S)-2,6-bis(azanyl)heptanedioate Openeye Name: O1-benzyl O7-methyl (6S)-2,6-diaminoheptanedioate CAS Name: (2S)-2,6-diaminoheptanedioic acid O1-methyl ester O7-(phenylmethyl) ester IUPAC Name: 7-O-benzyl 1-O-methyl (2S)-2,6-diaminoheptanedioate Traditional Name: (6S)-2,6-diaminopimelic acid O1-benzyl ester O7-methyl ester Formula: C15H22N2O4 MolecularWeight: 294.34618

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCC(C(=O)OCC1=CC=CC=C1)N)N

Isomeric SMILES

COC(=O)[C@H](CCCC(C(=O)OCC1=CC=CC=C1)N)N

InChI

InChI=1S/C15H22N2O4/c1-20-14(18)12(16)8-5-9-13(17)15(19)21-10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10,16-17H2,1H3/t12-,13?/m0/s1