tert-butyl N-[(2S)-1-(1-adamantylamino)-1-oxidanylidene-7-sulfanyl-heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-1-(1-adamantylamino)-1-oxidanylidene-7-sulfanyl-heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-(1-adamantylcarbamoyl)-6-sulfanyl-hexyl]carbamate CAS Name: N-[(2S)-1-(1-adamantylamino)-7-mercapto-1-oxoheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(1-adamantylamino)-1-oxo-7-sulfanylheptan-2-yl]carbamate Traditional Name: N-[(1S)-1-(1-adamantylcarbamoyl)-6-mercapto-hexyl]carbamic acid tert-butyl ester Formula: C22H38N2O3S MolecularWeight: 410.61372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCCS)C(=O)NC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCCS)C(=O)NC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C22H38N2O3S/c1-21(2,3)27-20(26)23-18(7-5-4-6-8-28)19(25)24-22-12-15-9-16(13-22)11-17(10-15)14-22/h15-18,28H,4-14H2,1-3H3,(H,23,26)(H,24,25)/t15?,16?,17?,18-,22?/m0/s1