4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid
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![4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/eb26277ea3784d2dbbc3484f00998bae.png "4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid")
4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid
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CAS No:
116560-97-5
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Formula:
C32H36N4O7
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Chemical Name:
4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid
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Synonyms:
Cfp-aaf-pab;
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CAS No:
4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid Basic Attributes
588.65100
588.25839950
Computed Properties
Molecular Weight:588.6
XLogP3:2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:15
Exact Mass:588.25839950
Monoisotopic Mass:588.25839950
Topological Polar Surface Area:174
Heavy Atom Count:43
Complexity:940
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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