tert-butyl N-[2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethanoylamino]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[2-[2-(phenylmethylsulfanyl)ethanoylamino]ethanoylamino]ethyl]carbamate Openeye Name: tert-butyl N-[2-[[2-[(2-benzylsulfanylacetyl)amino]acetyl]amino]ethyl]carbamate CAS Name: N-[2-[[1-oxo-2-[[1-oxo-2-(phenylmethylthio)ethyl]amino]ethyl]amino]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[[2-[(2-benzylsulfanylacetyl)amino]acetyl]amino]ethyl]carbamate Traditional Name: N-[2-[[2-[[2-(benzylthio)acetyl]amino]acetyl]amino]ethyl]carbamic acid tert-butyl ester Formula: C18H27N3O4S MolecularWeight: 381.48968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCNC(=O)CNC(=O)CSCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCNC(=O)CNC(=O)CSCC1=CC=CC=C1

InChI

InChI=1S/C18H27N3O4S/c1-18(2,3)25-17(24)20-10-9-19-15(22)11-21-16(23)13-26-12-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,19,22)(H,20,24)(H,21,23)