O1-methyl O8-(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioate

Systemtic Name: O1-methyl O8-(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioate Openeye Name: O8-benzyl O1-methyl (2S)-2-(tert-butoxycarbonylamino)octanedioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]octanedioic acid O1-methyl ester O8-(phenylmethyl) ester IUPAC Name: 8-O-benzyl 1-O-methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanedioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)suberic acid O8-benzyl ester O1-methyl ester Formula: C21H31NO6 MolecularWeight: 393.47394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCC(=O)OCC1=CC=CC=C1)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H31NO6/c1-21(2,3)28-20(25)22-17(19(24)26-4)13-9-6-10-14-18(23)27-15-16-11-7-5-8-12-16/h5,7-8,11-12,17H,6,9-10,13-15H2,1-4H3,(H,22,25)/t17-/m0/s1