O4-(2-adamantyl) O1-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

Systemtic Name: O4-(2-adamantyl) O1-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate Openeye Name: O4-(2-adamantyl) O1-[(4-methoxyphenyl)methyl] (2S)-2-(tert-butoxycarbonylamino)butanedioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanedioic acid O4-(2-adamantyl) ester O1-[(4-methoxyphenyl)methyl] ester IUPAC Name: 4-O-(2-adamantyl) 1-O-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)succinic acid O4-(2-adamantyl) ester O1-p-anisyl ester Formula: C27H37NO7 MolecularWeight: 487.58518

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H37NO7/c1-27(2,3)35-26(31)28-22(25(30)33-15-16-5-7-21(32-4)8-6-16)14-23(29)34-24-19-10-17-9-18(12-19)13-20(24)11-17/h5-8,17-20,22,24H,9-15H2,1-4H3,(H,28,31)/t17?,18?,19?,20?,22-,24?/m0/s1