Cas no 10072-50-1 (L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam)

L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam structure
10072-50-1 structure
Product Name:L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam
CAS No:10072-50-1
MF:C50H93N15O15
MW:1144.36493182182
CID:193675
PubChem ID:76960674
Update Time:2025-04-19

L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam Chemical and Physical Properties

Names and Identifiers

    • L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminob
    • L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutano
    • N2-(6-Methyloctanoyl-L-A2bu-L-Thr-D-Ser-)cyclo(L-A2bu*-L-A2bu-D-Leu-L-Thr-L-A2bu-L-A2bu-L-Thr-)
    • 1,4,7,10,13,16,19-Heptaazacyclotricosane, cyclicpeptide deriv.
    • L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10&reg
    • N2-(6-Methyl-1-oxooctyl)-L-2,4-diaminobutanoyl-L-threonyl-D-seryl-L-2,4-diaminobutanoyl-L-2,4-diam
    • Octanamide,N-[3-amino-1-[[2-hydroxy-1-[[2-hydroxy-1-[[2,11,14-tris(2-aminoethyl)-8,17-bis(1-hydroxyethyl)-5-isobutyl-3,6,9,12,15,18,23-heptaoxo-1,4,7,10,13,16,19-heptaazacyclotricos-22-yl]carbamoyl]ethyl]carbamoyl]propyl]carbamoyl]propyl]-6-methyl-(7CI)
    • Polymyxin D1 (8CI,9CI)
    • DTXSID801017046
    • 10072-50-1
    • CHEMBL4128491
    • UNII-K82TF60S44
    • Q27282073
    • L-THREONINE, (2S)-4-AMINO-2-((6-METHYL-1-OXOOCTYL)AMINO)BUTANOYL-L-THREONYL-D-SERYL-(2S)-2,4-DIAMINOBUTANOYL-(2S)-2,4-DIAMINOBUTANOYL-D-LEUCYL-L-THREONYL-(2S)-2,4-DIAMINOBUTANOYL-(2S)-2,4-DIAMINOBUTANOYL-, (10->4)-LACTAM
    • K82TF60S44
    • L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam
    • Inchi： 1S/C50H93N15O15/c1-8-26(4)11-9-10-12-37(70)56-30(13-18-51)44(74)64-40(29(7)69)50(80)62-36(24-66)47(77)59-34-17-22-55-48(78)38(27(5)67)63-45(75)33(16-21-54)58-41(71)32(15-20-53)60-49(79)39(28(6)68)65-46(76)35(23-25(2)3)61-42(72)31(14-19-52)57-43(34)73/h25-36,38-40,66-69H,8-24,51-54H2,1-7H3,(H,55,78)(H,56,70)(H,57,73)(H,58,71)(H,59,77)(H,60,79)(H,61,72)(H,62,80)(H,63,75)(H,64,74)(H,65,76)/t26-,27+,28+,29+,30-,31-,32-,33-,34-,35+,36+,38-,39-,40-/m0/s1
    • InChI Key： ZVVRUVGEGUZQHF-VJELORCESA-N
    • SMILES： O=C1[C@@H](CC(C)C)NC([C@H](CCN)NC([C@H](CCNC([C@H]([C@@H](C)O)NC([C@H](CCN)NC([C@H](CCN)NC([C@H]([C@@H](C)O)N1)=O)=O)=O)=O)NC([C@@H](CO)NC([C@H]([C@@H](C)O)NC([C@H](CCN)NC(CCCC[C@@H](C)CC)=O)=O)=O)=O)=O)=O

Computed Properties

  • Exact Mass: 1143.69755732g/mol
  • Monoisotopic Mass: 1143.69755732g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 19
  • Hydrogen Bond Acceptor Count: 19
  • Heavy Atom Count: 80
  • Rotatable Bond Count: 27
  • Complexity: 2040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 14
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -3.7
  • Topological Polar Surface Area: 505?2

Experimental Properties

  • Density: 1.0863 (rough estimate)
  • Boiling Point: 827.96°C (rough estimate)
  • Refractive Index: 1.6200 (estimate)

L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam Security Information

  • Safety Term：x."> Poison by subcutaneous, intravenous, and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.

L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam Related Literature

Related Categories

10072-50-1 (L-Threonine,(2S)-4-amino-2-[(6-methyl-1-oxooctyl)amino]butanoyl-L-threonyl-D-seryl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-D-leucyl-L-threonyl-(2S)-2,4-diaminobutanoyl-(2S)-2,4-diaminobutanoyl-,(10®4)-lactam) Related Products

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