(2S,3S)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-2-ethylsulfanyl-5-methyl-hexanoic acid

Systemtic Name: (2S,3S)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-2-ethylsulfanyl-5-methyl-hexanoic acid Openeye Name: (2S,3S)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-2-ethylsulfanyl-5-methyl-hexanoic acid CAS Name: (2S,3S)-3-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-2-(ethylthio)-5-methylhexanoic acid IUPAC Name: (2S,3S)-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-2-ethylsulfanyl-5-methylhexanoic acid Traditional Name: (2S,3S)-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-2-(ethylthio)-5-methyl-hexanoic acid Formula: C17H32N2O4S MolecularWeight: 360.51198

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(CC(C)C)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)O

Isomeric SMILES

CCS[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O

InChI

InChI=1S/C17H32N2O4S/c1-8-24-12(16(22)23)11(9-10(2)3)14(20)19-13(15(21)18-7)17(4,5)6/h10-13H,8-9H2,1-7H3,(H,18,21)(H,19,20)(H,22,23)/t11-,12+,13-/m1/s1