Cas no 119603-16-6 (L-Threoninamide,N-(2,4-dimethyl-1-oxooctyl)-N,O-dimethyl-L-tyrosyl-N-[1-[[2-[(2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl)carbonyl]-4-hydroxy-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-N-methyl-,3-acetate (9CI))

L-Threoninamide,N-(2,4-dimethyl-1-oxooctyl)-N,O-dimethyl-L-tyrosyl-N-[1-[[2-[(2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl)carbonyl]-4-hydroxy-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-N-methyl-,3-acetate (9CI) structure
119603-16-6 structure
Product Name:L-Threoninamide,N-(2,4-dimethyl-1-oxooctyl)-N,O-dimethyl-L-tyrosyl-N-[1-[[2-[(2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl)carbonyl]-4-hydroxy-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-N-methyl-,3-acetate (9CI)
CAS No:119603-16-6
MF:C43H65N5O10
MW:812.003712415695
CID:175817
PubChem ID:5492022
Update Time:2025-04-19

L-Threoninamide,N-(2,4-dimethyl-1-oxooctyl)-N,O-dimethyl-L-tyrosyl-N-[1-[[2-[(2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl)carbonyl]-4-hydroxy-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-N-methyl-,3-acetate (9CI) Chemical and Physical Properties

Names and Identifiers

    • L-Threoninamide,N-(2,4-dimethyl-1-oxooctyl)-N,O-dimethyl-L-tyrosyl-N-[1-[[2-[(2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl)carbonyl]-4-hydroxy-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-N-methyl-,3-acetate (9CI)
    • LogP
    • [(2R,3S)-4-[[(2S)-2-[2,4-dimethyloctanoyl(methyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-[[1-[4-hydroxy-2-(2-methyl-5-oxo-2H-pyrrole-1-carbonyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-methylam
    • L-Threoninamide,N-(2,4-dimethyl-1-oxooctyl)-N,O-dimethyl-L-tyrosyl-N-[1-[[2-[(2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl)carbonyl]-4-hydroxy-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-N-methyl-,3-acetate
    • 119603-16-6
    • DTXSID20923045
    • Inchi： 1S/C43H65N5O10/c1-12-13-14-26(4)21-27(5)41(54)45(9)34(22-31-16-18-33(57-11)19-17-31)39(52)44-40(53)38(29(7)58-30(8)49)46(10)37(25(2)3)43(56)47-24-32(50)23-35(47)42(55)48-28(6)15-20-36(48)51/h15-20,25-29,32,34-35,37-38,50H,12-14,21-24H2,1-11H3,(H,44,52,53)/t26?,27?,28?,29-,32?,34+,35?,37?,38+/m1/s1
    • InChI Key： FVYMRVAKZSUKNW-WZYGQCRBSA-N
    • SMILES： OC1CN(C(C(C(C)C)N(C)[C@H](C(NC([C@H](CC2C=CC(=CC=2)OC)N(C)C(C(C)CC(C)CCCC)=O)=O)=O)[C@@H](C)OC(C)=O)=O)C(C(N2C(C=CC2C)=O)=O)C1

Computed Properties

  • Exact Mass: 811.47345
  • Monoisotopic Mass: 811.473143
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 11
  • Heavy Atom Count: 58
  • Rotatable Bond Count: 20
  • Complexity: 1500
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 6
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 183
  • XLogP3: 5.3

Experimental Properties

  • Density: 1.182
  • Boiling Point: 925.7°Cat760mmHg
  • Flash Point: 513.7°C
  • Refractive Index: 1.544
  • PSA: 183.17

L-Threoninamide,N-(2,4-dimethyl-1-oxooctyl)-N,O-dimethyl-L-tyrosyl-N-[1-[[2-[(2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl)carbonyl]-4-hydroxy-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-N-methyl-,3-acetate (9CI) Related Literature

Related Categories

119603-16-6 (L-Threoninamide,N-(2,4-dimethyl-1-oxooctyl)-N,O-dimethyl-L-tyrosyl-N-[1-[[2-[(2,5-dihydro-2-methyl-5-oxo-1H-pyrrol-1-yl)carbonyl]-4-hydroxy-1-pyrrolidinyl]carbonyl]-2-methylpropyl]-N-methyl-,3-acetate (9CI)) Related Products

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