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Home > Encyclopedia > methyl (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate

methyl (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate

methyl (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate structure

methyl (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate 

structure
  • CAS No:

    131924-30-6

  • Formula:

    C22H34N4O5S

  • Chemical Name:

    methyl (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate

  • Synonyms:

    Cmlpme; NH2CO-L-Met-L-Leu-L-Phe-OMe; N-Carbamoyl-met-leu-phe Me ester;

methyl (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate Basic Attributes

466.59400

466.22499137 g/mol

DTXSID30157253

Characteristics

172.89000

3.79310

1.184g/cm3

712.1ºC

384.5ºC

1.545

3.98E-20mmHg at 25°C

Drug Information

CMLPME

Computed Properties

Molecular Weight:466.6
XLogP3:1.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:14
Exact Mass:466.22499137
Monoisotopic Mass:466.22499137
Topological Polar Surface Area:165
Heavy Atom Count:32
Complexity:625
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl (2S)-2-[[(2S)-2-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoate

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