4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
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![4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/26952208546846bcbad76cbc6bc2c3aa.png "4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid")
4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
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CAS No:
38877-35-9
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Formula:
C26H33N3O13
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Chemical Name:
4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid
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Synonyms:
38877-35-9;NSC173938;DTXSID00306054;NSC-173938;2-Acetamido-3,4,6-tri-O-acetyl-N-{N-[(benzyloxy)carbonyl]-alpha-aspartyl}-2-deoxyhexopyranosylamine
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CAS No:
4-[[3-acetamido-4,5-diacetyloxy-6-(acetyloxymethyl)oxan-2-yl]amino]-4-oxo-3-(phenylmethoxycarbonylamino)butanoic acid Basic Attributes
595.6 g/mol
595.20133812 g/mol
173938
DTXSID00306054
Computed Properties
Molecular Weight:595.6
XLogP3:-0.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:16
Exact Mass:595.20133812
Monoisotopic Mass:595.20133812
Topological Polar Surface Area:222
Heavy Atom Count:42
Complexity:1010
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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