tert-butyl N-[(3R)-5-ethylsulfanyl-2-oxidanyl-1-oxidanylidene-1-(2-phenylbutylamino)pentan-3-yl]carbamate

Systemtic Name: tert-butyl N-[(3R)-5-ethylsulfanyl-2-oxidanyl-1-oxidanylidene-1-(2-phenylbutylamino)pentan-3-yl]carbamate Openeye Name: tert-butyl N-[(1R)-1-(2-ethylsulfanylethyl)-2-hydroxy-3-oxo-3-(2-phenylbutylamino)propyl]carbamate CAS Name: N-[(3R)-5-(ethylthio)-2-hydroxy-1-oxo-1-(2-phenylbutylamino)pentan-3-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3R)-5-ethylsulfanyl-2-hydroxy-1-oxo-1-(2-phenylbutylamino)pentan-3-yl]carbamate Traditional Name: N-[(1R)-1-[2-(ethylthio)ethyl]-2-hydroxy-3-keto-3-(2-phenylbutylamino)propyl]carbamic acid tert-butyl ester Formula: C22H36N2O4S MolecularWeight: 424.59724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C(C(CCSCC)NC(=O)OC(C)(C)C)O)C1=CC=CC=C1

Isomeric SMILES

CCC(CNC(=O)C([C@@H](CCSCC)NC(=O)OC(C)(C)C)O)C1=CC=CC=C1

InChI

InChI=1S/C22H36N2O4S/c1-6-16(17-11-9-8-10-12-17)15-23-20(26)19(25)18(13-14-29-7-2)24-21(27)28-22(3,4)5/h8-12,16,18-19,25H,6-7,13-15H2,1-5H3,(H,23,26)(H,24,27)/t16?,18-,19?/m1/s1