 Home > Encyclopedia > acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide

acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide

acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide structure

CAS No:
150739-46-1
Formula:
C41H59N7O7
Chemical Name:
acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide
Synonyms:
(2S,3R,4S)-N-(N-((2R)-3-((4-(aminopiperidyl))carbonyl)-2-benzylpropionyl)-L-histidyl)1-cyclohexyl-3,4-dihydroxy-6-(2-pyridyl)hexan-2-amine acetate;S 2864;S-2864;S 2864;n|A-[4-(4-aminopiperidin-1-yl)-2-benzyl-4-oxobutanoyl]-n-[(3r,4s)-1-cyclohexyl-3,4-dihydroxy-6-(pyridin-2-yl)hexan-2-yl]-l-histidinamide acetate(1:1);DTXSID10276714;(2S,3R,4S)-N-(N-((2R)-3-((4-(Aminopiperidyl))carbonyl)-2-benzylpropionyl)-L-histidyl)1-cyclohexyl-3,4-dihydroxy-6-(2-pyridyl)hexan-2-amine acetate;1-Piperidinebutanamide, 4-amino-N-(2-((1-(cyclohexylmethyl)-2,3-dihydroxy-5-(2-pyridinyl)pentyl)amino)-1-(1H-imidazol-4-ylmethyl)-2-oxoethyl)-gamma-oxo-alpha-(phenylmethyl)-, (1S-(1R*(R*(S*)),2S*,3R*))-, monoacetate (salt);135683-92-0;150739-46-1

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acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide Basic Attributes

Molecular Weight：

761.9 g/mol

Exact Mass：

761.44759725 g/mol

DSSTox ID：

DTXSID10276714

Characteristics

PSA：

224 Å²

Drug Information

MeSH Entry Terms：

(2S,3R,4S)-N-(N-((2R)-3-((4-(aminopiperidyl))carbonyl)-2-benzylpropionyl)-L-histidyl)1-cyclohexyl-3,4-dihydroxy-6-(2-pyridyl)hexan-2-amine acetate

Computed Properties

Molecular Weight:761.9
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:17
Exact Mass:761.44759725
Monoisotopic Mass:761.44759725
Topological Polar Surface Area:224
Heavy Atom Count:55
Complexity:1090
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of acetic acid;4-(4-aminopiperidin-1-yl)-2-benzyl-N-[(2S)-1-[[(3R,4S)-1-cyclohexyl-3,4-dihydroxy-6-pyridin-2-ylhexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-4-oxobutanamide

Basic Attributes
Characteristics
Drug Information
Computed Properties
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