O1-(1-adamantyl) O5-(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate

Systemtic Name: O1-(1-adamantyl) O5-(phenylmethyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate Openeye Name: O1-(1-adamantyl) O5-benzyl (2S)-2-(tert-butoxycarbonylamino)pentanedioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanedioic acid O1-(1-adamantyl) ester O5-(phenylmethyl) ester IUPAC Name: 1-O-(1-adamantyl) 5-O-benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)glutaric acid O1-(1-adamantyl) ester O5-benzyl ester Formula: C27H37NO6 MolecularWeight: 471.58578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(=O)OC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)C(=O)OC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C27H37NO6/c1-26(2,3)34-25(31)28-22(9-10-23(29)32-17-18-7-5-4-6-8-18)24(30)33-27-14-19-11-20(15-27)13-21(12-19)16-27/h4-8,19-22H,9-17H2,1-3H3,(H,28,31)/t19?,20?,21?,22-,27?/m0/s1