tert-butyl N-[(2S)-1-[[4-(1-adamantyl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-[[4-(1-adamantyl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[4-(1-adamantyl)phenyl]carbamoyl]-3-methyl-butyl]carbamate CAS Name: N-[(2S)-1-[4-(1-adamantyl)anilino]-4-methyl-1-oxopentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-[4-(1-adamantyl)anilino]-4-methyl-1-oxopentan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[4-(1-adamantyl)phenyl]carbamoyl]-3-methyl-butyl]carbamic acid tert-butyl ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C27H40N2O3/c1-17(2)10-23(29-25(31)32-26(3,4)5)24(30)28-22-8-6-21(7-9-22)27-14-18-11-19(15-27)13-20(12-18)16-27/h6-9,17-20,23H,10-16H2,1-5H3,(H,28,30)(H,29,31)/t18?,19?,20?,23-,27?/m0/s1