tert-butyl N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]amino]butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-methyl-1-oxidanylidene-1-[[(2S)-1-phenyl-3-phenylsulfanyl-propan-2-yl]amino]butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-[[(1S)-1-benzyl-2-phenylsulfanyl-ethyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-phenyl-3-(phenylthio)propan-2-yl]amino]butan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-phenyl-3-phenylsulfanylpropan-2-yl]amino]butan-2-yl]carbamate Traditional Name: N-[(1S)-1-[[(1S)-1-benzyl-2-(phenylthio)ethyl]carbamoyl]-2-methyl-propyl]carbamic acid tert-butyl ester Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=CC=C1)CSC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)CSC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H34N2O3S/c1-18(2)22(27-24(29)30-25(3,4)5)23(28)26-20(16-19-12-8-6-9-13-19)17-31-21-14-10-7-11-15-21/h6-15,18,20,22H,16-17H2,1-5H3,(H,26,28)(H,27,29)/t20-,22-/m0/s1