O1-tert-butyl O4-(phenylmethyl) (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]butanedioate

Systemtic Name: O1-tert-butyl O4-(phenylmethyl) (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]butanedioate Openeye Name: O4-benzyl O1-tert-butyl (2S)-2-[2-(tert-butoxycarbonylamino)ethylamino]butanedioate CAS Name: (2S)-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethylamino]butanedioic acid O1-tert-butyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-tert-butyl (2S)-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]butanedioate Traditional Name: (2S)-2-[2-(tert-butoxycarbonylamino)ethylamino]succinic acid O4-benzyl ester O1-tert-butyl ester Formula: C22H34N2O6 MolecularWeight: 422.51516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O6/c1-21(2,3)29-19(26)17(23-12-13-24-20(27)30-22(4,5)6)14-18(25)28-15-16-10-8-7-9-11-16/h7-11,17,23H,12-15H2,1-6H3,(H,24,27)/t17-/m0/s1