L-Valine,N-[N-[3-hydroxy-6-methyl-1-oxo-4-[[N2-[N2-(N-L-valyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]heptyl]-L-isoleucyl]-,[S-(R*,R*)]-(9CI)
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![L-Valine,N-[N-[3-hydroxy-6-methyl-1-oxo-4-[[N2-[N2-(N-L-valyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]heptyl]-L-isoleucyl]-,[S-(R*,R*)]-(9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/5a3a056bf2ee4c8d847a487294110815.png "L-Valine,N-[N-[3-hydroxy-6-methyl-1-oxo-4-[[N2-[N2-(N-L-valyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]heptyl]-L-isoleucyl]-,[S-(R*,R*)]-(9CI)")
L-Valine,N-[N-[3-hydroxy-6-methyl-1-oxo-4-[[N2-[N2-(N-L-valyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]heptyl]-L-isoleucyl]-,[S-(R*,R*)]-(9CI)
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CAS No:
124020-60-6
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Formula:
C36H65N9O12
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Chemical Name:
L-Valine,N-[N-[3-hydroxy-6-methyl-1-oxo-4-[[N2-[N2-(N-L-valyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]heptyl]-L-isoleucyl]-,[S-(R*,R*)]-(9CI)
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Synonyms:
(S)-2-((2S,3S)-2-((3S,4S)-4-((S)-2-((S)-2-((S)-2-((S)-2-Amino-3-methyl-butanoylamino)-3-hydroxypropanoylamino)-4-carbamoylbutanoylamino)-3-carbamoylpropanoylamino)-3-hydroxy-6-methyl-heptanoylamino)-3-methyl-pentanoylamino)-3-methyl-butyric acid; H-Val-Ser-Gln-Asn-Sta-Ile-Val-OH; U 8554; L-Valine,N-[N-[3-hydroxy-6-methyl-1-oxo-4-[[N2-[N2-(N-L-valyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]heptyl]-L-isoleucyl]-,[S-(R*,R*)]-(9CI);
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CAS No:
L-Valine,N-[N-[3-hydroxy-6-methyl-1-oxo-4-[[N2-[N2-(N-L-valyl-L-seryl)-L-glutaminyl]-L-asparaginyl]amino]heptyl]-L-isoleucyl]-,[S-(R*,R*)]-(9CI) Basic Attributes
815.95400
815.47526854 g/mol
DTXSID80154191
Computed Properties
Molecular Weight:816.0
XLogP3:-4.4
Hydrogen Bond Donor Count:12
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:27
Exact Mass:815.47526854
Monoisotopic Mass:815.47526854
Topological Polar Surface Area:365
Heavy Atom Count:57
Complexity:1410
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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