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Home > Encyclopedia > methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate

methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate

methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate structure

methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate 

structure
  • CAS No:

    109064-70-2

  • Formula:

    C24H29N5O5S

  • Chemical Name:

    methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate

  • Synonyms:

    L-Tryptophan,N-L-lysyl-1-((2-nitrophenyl)thio)-,methyl ester; Lys-Trp(Nps)-OMe; H-Lysyl-2-(2-nitrophenylsulfenyl)tryptophan methyl ester; N-L-Lysyl-1-((2-nitrophenyl)thio)-L-tryptophan methyl ester; H-Lys-trp(nps)-ome;

methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate Basic Attributes

499.58300

499.18894022 g/mol

DTXSID00148810

Characteristics

186.98000

5.52560

1.37g/cm3

1.654

Drug Information

H-Lys-Trp(Nps)-OMe

Computed Properties

Molecular Weight:499.6
XLogP3:2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:499.18894022
Monoisotopic Mass:499.18894022
Topological Polar Surface Area:184
Heavy Atom Count:35
Complexity:723
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-[1-(2-nitrophenyl)sulfanylindol-3-yl]propanoate

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