tert-butyl N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-N-piperidin-4-ylcarbonyl-carbamate

Systemtic Name: tert-butyl N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxidanylidene-heptan-3-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-N-piperidin-4-ylcarbonyl-carbamate Openeye Name: tert-butyl N-[1-[1-[2-(2-furylmethylsulfanyl)acetyl]pentylcarbamoyl]-3-methyl-butyl]-N-(piperidine-4-carbonyl)carbamate CAS Name: N-[1-[[1-(2-furanylmethylthio)-2-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-[oxo(4-piperidinyl)methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-[[1-(furan-2-ylmethylsulfanyl)-2-oxoheptan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-(piperidine-4-carbonyl)carbamate Traditional Name: N-[1-[1-[2-(2-furfurylthio)acetyl]pentylcarbamoyl]-3-methyl-butyl]-N-isonipecotoyl-carbamic acid tert-butyl ester Formula: C29H47N3O6S MolecularWeight: 565.76498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)N(C(=O)C2CCNCC2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCCC(C(=O)CSCC1=CC=CO1)NC(=O)C(CC(C)C)N(C(=O)C2CCNCC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H47N3O6S/c1-7-8-11-23(25(33)19-39-18-22-10-9-16-37-22)31-26(34)24(17-20(2)3)32(28(36)38-29(4,5)6)27(35)21-12-14-30-15-13-21/h9-10,16,20-21,23-24,30H,7-8,11-15,17-19H2,1-6H3,(H,31,34)