O1-tert-butyl O6-(phenylmethyl) (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-hexanedioate

Systemtic Name: O1-tert-butyl O6-(phenylmethyl) (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-hexanedioate Openeye Name: O1-benzyl O6-tert-butyl (3S)-3-(tert-butoxycarbonylamino)-4-oxo-hexanedioate CAS Name: (4S)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxohexanedioic acid O1-tert-butyl ester O6-(phenylmethyl) ester IUPAC Name: 6-O-benzyl 1-O-tert-butyl (4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxohexanedioate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-keto-adipic acid O1-benzyl ester O6-tert-butyl ester Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H31NO7/c1-21(2,3)29-19(26)13-17(24)16(23-20(27)30-22(4,5)6)12-18(25)28-14-15-10-8-7-9-11-15/h7-11,16H,12-14H2,1-6H3,(H,23,27)/t16-/m0/s1