tert-butyl (2S,3S)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-2-phenylsulfanyl-hexanoate

Systemtic Name: tert-butyl (2S,3S)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-2-phenylsulfanyl-hexanoate Openeye Name: tert-butyl (2S,3S)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-2-phenylsulfanyl-hexanoate CAS Name: (2S,3S)-3-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-5-methyl-2-(phenylthio)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,3S)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methyl-2-phenylsulfanylhexanoate Traditional Name: (2S,3S)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-2-(phenylthio)hexanoic acid tert-butyl ester Formula: C25H40N2O4S MolecularWeight: 464.6611

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C(=O)OC(C)(C)C)SC1=CC=CC=C1)C(=O)NC(C(=O)NC)C(C)(C)C

Isomeric SMILES

CC(C)C[C@H]([C@@H](C(=O)OC(C)(C)C)SC1=CC=CC=C1)C(=O)N[C@H](C(=O)NC)C(C)(C)C

InChI

InChI=1S/C25H40N2O4S/c1-16(2)15-18(21(28)27-20(22(29)26-9)24(3,4)5)19(23(30)31-25(6,7)8)32-17-13-11-10-12-14-17/h10-14,16,18-20H,15H2,1-9H3,(H,26,29)(H,27,28)/t18-,19+,20-/m1/s1