O1-(4-azanyl-4-oxidanylidene-butan-2-yl) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate

Systemtic Name: O1-(4-azanyl-4-oxidanylidene-butan-2-yl) O6-(phenylmethyl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Openeye Name: O1-(3-amino-1-methyl-3-oxo-propyl) O6-benzyl 2-(tert-butoxycarbonylamino)hexanedioate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]hexanedioic acid O1-(4-amino-4-oxobutan-2-yl) ester O6-(phenylmethyl) ester IUPAC Name: 1-O-(4-amino-4-oxobutan-2-yl) 6-O-benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]hexanedioate Traditional Name: 2-(tert-butoxycarbonylamino)adipic acid O1-(3-amino-3-keto-1-methyl-propyl) ester O6-benzyl ester Formula: C22H32N2O7 MolecularWeight: 436.49868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O7/c1-15(13-18(23)25)30-20(27)17(24-21(28)31-22(2,3)4)11-8-12-19(26)29-14-16-9-6-5-7-10-16/h5-7,9-10,15,17H,8,11-14H2,1-4H3,(H2,23,25)(H,24,28)