L-Proline, N-acetyl-L-a-aspartyl-D-a-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-,5-[2-butyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)-
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![L-Proline, N-acetyl-L-a-aspartyl-D-a-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-,5-[2-butyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/c8ed18989bbf4c41b038515f0caf92f0.png "L-Proline, N-acetyl-L-a-aspartyl-D-a-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-,5-[2-butyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)-")
L-Proline, N-acetyl-L-a-aspartyl-D-a-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-,5-[2-butyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)-
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CAS No:
220440-58-4
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Formula:
C47H68N8O12
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Chemical Name:
L-Proline, N-acetyl-L-a-aspartyl-D-a-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-,5-[2-butyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)-
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Synonyms:
Azapeptide-based compound 44;220440-58-4;BDBM3903;CHEMBL3301638;DTXSID40349309;(4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-{[butyl({[(1S)-1-phenylethyl]carbamoyl})amino]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-4-[(3S)-3-acetamido-3-formamidopropanoic acid]butanoic acid;L-Proline, N-acetyl-L-alpha-aspartyl-D-alpha-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-butyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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CAS No:
L-Proline, N-acetyl-L-a-aspartyl-D-a-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-,5-[2-butyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- Basic Attributes
937.1 g/mol
936.49566963 g/mol
DTXSID40349309
Computed Properties
Molecular Weight:937.1
XLogP3:3.2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:25
Exact Mass:936.49566963
Monoisotopic Mass:936.49566963
Topological Polar Surface Area:282
Heavy Atom Count:67
Complexity:1690
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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