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Home > Encyclopedia > acetic acid,methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate

acetic acid,methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate

acetic acid,methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate structure

acetic acid,methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate 

structure
  • CAS No:

    176022-59-6

  • Formula:

    C23H33N5O8

  • Chemical Name:

    acetic acid,methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate

  • Synonyms:

    Roxifiban acetate; UNII-0U90EOD13M; DMP-754; Lumaxis;

acetic acid,methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate Basic Attributes

507.53700

507.23291303 g/mol

0U90EOD13M

DTXSID90170069

Characteristics

209.47000

2.40910

764.3ºC

416.1ºC

1.45E-24mmHg at 25°C

Drug Information

(2S)-3-(2-((5S)-3-(p-amidinophenyl)-2-isoxazolin-5-yl)acetamido)-2-(carboxyamino)propionic acid, 2-butyl methyl ester, monoacetate

Computed Properties

Molecular Weight:507.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:507.23291303
Monoisotopic Mass:507.23291303
Topological Polar Surface Area:203
Heavy Atom Count:36
Complexity:736
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

Guide of acetic acid,methyl (2S)-2-(butoxycarbonylamino)-3-[[2-[(5R)-3-(4-carbamimidoylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]acetyl]amino]propanoate

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