O7-tert-butyl O1-(phenylmethyl) (2S)-2-aminocarbonyl-2,6-bis(azanyl)heptanedioate

Systemtic Name: O7-tert-butyl O1-(phenylmethyl) (2S)-2-aminocarbonyl-2,6-bis(azanyl)heptanedioate Openeye Name: O1-benzyl O7-tert-butyl (2S)-2,6-diamino-2-carbamoyl-heptanedioate CAS Name: (2S)-2,6-diamino-2-carbamoylheptanedioic acid O7-tert-butyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 7-O-tert-butyl (2S)-2,6-diamino-2-carbamoylheptanedioate Traditional Name: (2S)-2,6-diamino-2-carbamoyl-pimelic acid O1-benzyl ester O7-tert-butyl ester Formula: C19H29N3O5 MolecularWeight: 379.45066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)C(CCC[C@](C(=O)N)(C(=O)OCC1=CC=CC=C1)N)N

InChI

InChI=1S/C19H29N3O5/c1-18(2,3)27-15(23)14(20)10-7-11-19(22,16(21)24)17(25)26-12-13-8-5-4-6-9-13/h4-6,8-9,14H,7,10-12,20,22H2,1-3H3,(H2,21,24)/t14?,19-/m0/s1