2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
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2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
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CAS No:
115664-72-7
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Formula:
C28H30N6O6
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Chemical Name:
2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide
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Synonyms:
N-Anthraniloyl-alanyl-alanyl-phenylalanyl-4-nitroanilide; Ant-ala-ala-phe-4NA;
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CAS No:
2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-2-(4-nitroanilino)-3-phenylpropanoyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]benzamide Basic Attributes
546.57400
546.22268270
DTXSID80151165
Computed Properties
Molecular Weight:546.6
XLogP3:3.9
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:546.22268270
Monoisotopic Mass:546.22268270
Topological Polar Surface Area:188
Heavy Atom Count:40
Complexity:896
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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