tert-butyl N-[2-(1-acetamido-2-oxidanyl-ethyl)-4-oxidanyl-4-[tris(methylsulfanyl)methyl]cyclopentyl]carbamate

Systemtic Name: tert-butyl N-[2-(1-acetamido-2-oxidanyl-ethyl)-4-oxidanyl-4-[tris(methylsulfanyl)methyl]cyclopentyl]carbamate Openeye Name: tert-butyl N-[2-(1-acetamido-2-hydroxy-ethyl)-4-hydroxy-4-[tris(methylsulfanyl)methyl]cyclopentyl]carbamate CAS Name: N-[2-(1-acetamido-2-hydroxyethyl)-4-hydroxy-4-[tris(methylthio)methyl]cyclopentyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(1-acetamido-2-hydroxyethyl)-4-hydroxy-4-[tris(methylsulfanyl)methyl]cyclopentyl]carbamate Traditional Name: N-[2-(1-acetamido-2-hydroxy-ethyl)-4-hydroxy-4-[tris(methylthio)methyl]cyclopentyl]carbamic acid tert-butyl ester Formula: C18H34N2O5S3 MolecularWeight: 454.66796

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CO)C1CC(CC1NC(=O)OC(C)(C)C)(C(SC)(SC)SC)O

Isomeric SMILES

CC(=O)NC(CO)C1CC(CC1NC(=O)OC(C)(C)C)(C(SC)(SC)SC)O

InChI

InChI=1S/C18H34N2O5S3/c1-11(22)19-14(10-21)12-8-17(24,18(26-5,27-6)28-7)9-13(12)20-15(23)25-16(2,3)4/h12-14,21,24H,8-10H2,1-7H3,(H,19,22)(H,20,23)