[3-[[(2S)-1-[[(2S)-1-[[(2S)-1-(2,2-dimethylpropanoyloxymethoxy)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propyl]-[(2E,6Z)-3,7,10,11-tetramethyldodeca-2,6,10-trienyl]phosphinic acid

Systemtic Name: [3-[[(2S)-1-[[(2S)-1-[[(2S)-1-(2,2-dimethylpropanoyloxymethoxy)-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-oxidanylidene-propyl]-[(2E,6Z)-3,7,10,11-tetramethyldodeca-2,6,10-trienyl]phosphinic acid Openeye Name: [3-[[(1S)-1-[[(1S)-1-[[(1S)-1-(2,2-dimethylpropanoyloxymethoxycarbonyl)-3-methylsulfanyl-propyl]carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]amino]-3-oxo-propyl]-[(2E,6Z)-3,7,10,11-tetramethyldodeca-2,6,10-trienyl]phosphinic acid CAS Name: [3-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2,2-dimethyl-1-oxopropoxy)methoxy]-4-(methylthio)-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-[(2E,6Z)-3,7,10,11-tetramethyldodeca-2,6,10-trienyl]phosphinic acid IUPAC Name: [3-[[(2S)-1-[[(2S)-1-[[(2S)-1-(2,2-dimethylpropanoyloxymethoxy)-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-oxopropyl]-[(2E,6Z)-3,7,10,11-tetramethyldodeca-2,6,10-trienyl]phosphinic acid Traditional Name: [3-keto-3-[[(1S)-2-methyl-1-[[(1S)-2-methyl-1-[[(1S)-3-(methylthio)-1-(pivaloyloxymethoxycarbonyl)propyl]carbamoyl]propyl]carbamoyl]propyl]amino]propyl]-[(2E,6Z)-3,7,10,11-tetramethyldodeca-2,6,10-trienyl]phosphinic acid Formula: C40H70N3O9PS MolecularWeight: 800.037261

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCSC)C(=O)OCOC(=O)C(C)(C)C)NC(=O)CCP(=O)(CC=C(C)CCC=C(C)CCC(=C(C)C)C)O

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCSC)C(=O)OCOC(=O)C(C)(C)C)NC(=O)CCP(=O)(C/C=C(\C)/CC/C=C(/C)\CCC(=C(C)C)C)O

InChI

InChI=1S/C40H70N3O9PS/c1-26(2)31(9)18-17-29(7)15-14-16-30(8)19-22-53(49,50)23-20-33(44)42-34(27(3)4)37(46)43-35(28(5)6)36(45)41-32(21-24-54-13)38(47)51-25-52-39(48)40(10,11)12/h15,19,27-28,32,34-35H,14,16-18,20-25H2,1-13H3,(H,41,45)(H,42,44)(H,43,46)(H,49,50)/b29-15-,30-19+/t32-,34-,35-/m0/s1