(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-(butoxycarbonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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![(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-(butoxycarbonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/45216926667c4017ae3ac6111602f97b.png "(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-(butoxycarbonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid")
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-(butoxycarbonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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CAS No:
17554-05-1
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Formula:
C35H46N6O8
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Chemical Name:
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-(butoxycarbonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
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Synonyms:
Boc-Leu-(31)-CCK4;BOC-Trp-Leu-Asp-Phe-NH2;BTLASP-NH2;butyloxycarbonyl-tryptophyl-leucyl-aspartyl-phenylalaninamide;cholecystokinin (4), butyloxycarbonyl-Leu(31)-;Butyloxycarbonyl-tryptophyl-leucyl-aspartyl-phenylalaninamide;17554-05-1;Btlasp-NH2;Boc-leu-(31)-cck4;Cholecystokinin (4), butyloxycarbonyl-leu(31)-;DTXSID70169996;BOC--Trp--Leu--Asp--Phe--NH2;L-Phenylalaninamide, N-((1,1-dimethylethoxy)carbonyl)-L-tryptophyl-L-leucyl-L-alpha-aspartyl-
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CAS No:
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-(butoxycarbonylamino)-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid Basic Attributes
678.8 g/mol
678.33771245 g/mol
DTXSID70169996
Computed Properties
Molecular Weight:678.8
XLogP3:0.4
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:19
Exact Mass:678.33771245
Monoisotopic Mass:678.33771245
Topological Polar Surface Area:222
Heavy Atom Count:49
Complexity:1130
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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