O4-(1-adamantyl) O1-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate

Systemtic Name: O4-(1-adamantyl) O1-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate Openeye Name: O4-(1-adamantyl) O1-[(4-methoxyphenyl)methyl] (2S)-2-(tert-butoxycarbonylamino)butanedioate CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]butanedioic acid O4-(1-adamantyl) ester O1-[(4-methoxyphenyl)methyl] ester IUPAC Name: 4-O-(1-adamantyl) 1-O-[(4-methoxyphenyl)methyl] (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate Traditional Name: (2S)-2-(tert-butoxycarbonylamino)succinic acid O4-(1-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)OC12CC3CC(C1)CC(C3)C2)C(=O)OCC4=CC=C(C=C4)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OC12CC3CC(C1)CC(C3)C2)C(=O)OCC4=CC=C(C=C4)OC

InChI

InChI=1S/C27H37NO7/c1-26(2,3)35-25(31)28-22(24(30)33-16-17-5-7-21(32-4)8-6-17)12-23(29)34-27-13-18-9-19(14-27)11-20(10-18)15-27/h5-8,18-20,22H,9-16H2,1-4H3,(H,28,31)/t18?,19?,20?,22-,27?/m0/s1