O1-methyl O7-(phenylmethyl) (2S,5S)-5-azanyl-2-(3,3-dimethylbutylamino)-2-methyl-4-oxidanylidene-3-phenyl-heptanedioate

Systemtic Name: O1-methyl O7-(phenylmethyl) (2S,5S)-5-azanyl-2-(3,3-dimethylbutylamino)-2-methyl-4-oxidanylidene-3-phenyl-heptanedioate Openeye Name: O7-benzyl O1-methyl (2S,5S)-5-amino-2-(3,3-dimethylbutylamino)-2-methyl-4-oxo-3-phenyl-heptanedioate CAS Name: (2S,5S)-5-amino-2-(3,3-dimethylbutylamino)-2-methyl-4-oxo-3-phenylheptanedioic acid O1-methyl ester O7-(phenylmethyl) ester IUPAC Name: 7-O-benzyl 1-O-methyl (2S,5S)-5-amino-2-(3,3-dimethylbutylamino)-2-methyl-4-oxo-3-phenylheptanedioate Traditional Name: (2S,5S)-5-amino-2-(3,3-dimethylbutylamino)-4-keto-2-methyl-3-phenyl-pimelic acid O7-benzyl ester O1-methyl ester Formula: C28H38N2O5 MolecularWeight: 482.61172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CCNC(C)(C(C1=CC=CC=C1)C(=O)C(CC(=O)OCC2=CC=CC=C2)N)C(=O)OC

Isomeric SMILES

C[C@](C(C1=CC=CC=C1)C(=O)[C@H](CC(=O)OCC2=CC=CC=C2)N)(C(=O)OC)NCCC(C)(C)C

InChI

InChI=1S/C28H38N2O5/c1-27(2,3)16-17-30-28(4,26(33)34-5)24(21-14-10-7-11-15-21)25(32)22(29)18-23(31)35-19-20-12-8-6-9-13-20/h6-15,22,24,30H,16-19,29H2,1-5H3/t22-,24?,28-/m0/s1