tert-butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-norleucyl-aspartic acid 2-phenylethyl ester
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tert-butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-norleucyl-aspartic acid 2-phenylethyl ester
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CAS No:
144396-38-3
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Formula:
C49H66N6O16S
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Chemical Name:
tert-butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-norleucyl-aspartic acid 2-phenylethyl ester
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Synonyms:
Boc-Tyr(SO3)-Nle-Gly-Tyr-Nle-Asp-PEE;CCK-J;cholecystokinin-J;tert-butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-norleucyl-aspartic acid 2-phenylethyl ester;Cholecystokinin-J;144396-38-3;(6S,9S,15S,18S,21S)-9,18-dibutyl-15-(4-hydroxybenzyl)-2,2-dimethyl-4,7,10,13,16,19-hexaoxo-21-(phenethoxycarbonyl)-6-(4-(sulfooxy)benzyl)-3-oxa-5,8,11,14,17,20-hexaazatricosan-23-oic acid;CCK-J;Boc-tyr(SO3)-nle-gly-tyr-nle-asp-pee;DTXSID40162696;tert-Butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-norleucyl-aspartic acid 2-phenylethyl ester;(3S)-3-[[(2S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-4-(2-phenylethoxy)butanoic acid;L-Aspartic acid, N-(N-(N-(N-(N-(N-((1,1-dimethylethoxy)carbonyl)-O-sulfo-L-tyrosyl)-L-norleucyl)glycyl)-L-tyrosyl)-L_norleucyl)-, 1-(2-phenylethyl) ester
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CAS No:
tert-butyloxycarbonyl-sulfotyrosyl-norleucyl-glycyl-tyrosyl-norleucyl-aspartic acid 2-phenylethyl ester Basic Attributes
1027.1 g/mol
1026.42560121 g/mol
DTXSID40162696
Computed Properties
Molecular Weight:1027.1
XLogP3:5.4
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:16
Rotatable Bond Count:32
Exact Mass:1026.42560121
Monoisotopic Mass:1026.42560121
Topological Polar Surface Area:340
Heavy Atom Count:72
Complexity:1870
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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