H-His-lys-thr-asp-ser-phe-val-gly-leu-met-OH
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H-His-lys-thr-asp-ser-phe-val-gly-leu-met-OH
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CAS No:
102989-34-4
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Formula:
C50H79N13O15S
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Chemical Name:
H-His-lys-thr-asp-ser-phe-val-gly-leu-met-OH
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Synonyms:
H-His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu-Met-OH;neurokinin A-OH;NKA-OH;Neurokinin A-OH;Nka-OH;102989-34-4;(2S,5S,11S,14S,17S,20S)-20-((2S,3R)-2-((S)-6-amino-2-((S)-2-amino-3-(1H-imidazol-4-yl)propanamido)hexanamido)-3-hydroxybutanamido)-14-benzyl-17-(hydroxymethyl)-5-isobutyl-11-isopropyl-2-(2-(methylthio)ethyl)-4,7,10,13,16,19-hexaoxo-3,6,9,12,15,18-hexaazadocosanedioic acid;H-His-lys-thr-asp-ser-phe-val-gly-leu-met-OH;(3S)-3-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxo;L-Methionine, N-(N-(N-(N-(N-(N-(N-(N-(N2-L-histidyl-L-lysyl)-L-threonyl)-L-alpha-aspartyl)-L-seryl)-L-phenylalanyl)-L-valyl)glycyl)-L-leucyl)-
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CAS No:
Computed Properties
Molecular Weight:1134.3
XLogP3:-6.5
Hydrogen Bond Donor Count:16
Hydrogen Bond Acceptor Count:19
Rotatable Bond Count:37
Exact Mass:1133.55393004
Monoisotopic Mass:1133.55393004
Topological Polar Surface Area:483
Heavy Atom Count:79
Complexity:2030
Defined Atom Stereocenter Count:10
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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