2H-Pyrrol-2-one, 1-[N-[(2R,4R)-2,4-dimethyl-1-oxooctyl]-N,O-dimethyl-L-tyrosyl-O-acetyl-N-methyl-L-threonyl-N-methyl-L-valyl-(4S)-4-hydroxy-L-prolyl]-1,5-dihydro-5-methyl-, (5S)-
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![2H-Pyrrol-2-one, 1-[N-[(2R,4R)-2,4-dimethyl-1-oxooctyl]-N,O-dimethyl-L-tyrosyl-O-acetyl-N-methyl-L-threonyl-N-methyl-L-valyl-(4S)-4-hydroxy-L-prolyl]-1,5-dihydro-5-methyl-, (5S)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/b630ce514f854f84b8ca7f4538e1ed24.png "2H-Pyrrol-2-one, 1-[N-[(2R,4R)-2,4-dimethyl-1-oxooctyl]-N,O-dimethyl-L-tyrosyl-O-acetyl-N-methyl-L-threonyl-N-methyl-L-valyl-(4S)-4-hydroxy-L-prolyl]-1,5-dihydro-5-methyl-, (5S)-")
2H-Pyrrol-2-one, 1-[N-[(2R,4R)-2,4-dimethyl-1-oxooctyl]-N,O-dimethyl-L-tyrosyl-O-acetyl-N-methyl-L-threonyl-N-methyl-L-valyl-(4S)-4-hydroxy-L-prolyl]-1,5-dihydro-5-methyl-, (5S)-
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CAS No:
119603-16-6
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Formula:
C43H65N5O10
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Chemical Name:
2H-Pyrrol-2-one, 1-[N-[(2R,4R)-2,4-dimethyl-1-oxooctyl]-N,O-dimethyl-L-tyrosyl-O-acetyl-N-methyl-L-threonyl-N-methyl-L-valyl-(4S)-4-hydroxy-L-prolyl]-1,5-dihydro-5-methyl-, (5S)-
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Synonyms:
Majusculamide D;
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CAS No:
2H-Pyrrol-2-one, 1-[N-[(2R,4R)-2,4-dimethyl-1-oxooctyl]-N,O-dimethyl-L-tyrosyl-O-acetyl-N-methyl-L-threonyl-N-methyl-L-valyl-(4S)-4-hydroxy-L-prolyl]-1,5-dihydro-5-methyl-, (5S)- Basic Attributes
812.00400
811.47314329
Computed Properties
Molecular Weight:812.0
XLogP3:5.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:20
Exact Mass:811.47314329
Monoisotopic Mass:811.47314329
Topological Polar Surface Area:183
Heavy Atom Count:58
Complexity:1500
Defined Atom Stereocenter Count:3
Undefined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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