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

Systemtic Name: (2S,3S)-2-[3,5-bis(chloranyl)phenyl]sulfanyl-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-5-methyl-hexanoic acid Openeye Name: (2S,3S)-2-(3,5-dichlorophenyl)sulfanyl-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-hexanoic acid CAS Name: (2S,3S)-2-[(3,5-dichlorophenyl)thio]-3-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-5-methylhexanoic acid IUPAC Name: (2S,3S)-2-(3,5-dichlorophenyl)sulfanyl-3-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-5-methylhexanoic acid Traditional Name: (2S,3S)-2-[(3,5-dichlorophenyl)thio]-3-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-5-methyl-hexanoic acid Formula: C21H30Cl2N2O4S MolecularWeight: 477.4449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30Cl2N2O4S/c1-11(2)7-15(18(26)25-17(19(27)24-6)21(3,4)5)16(20(28)29)30-14-9-12(22)8-13(23)10-14/h8-11,15-17H,7H2,1-6H3,(H,24,27)(H,25,26)(H,28,29)/t15-,16+,17-/m1/s1