L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-(3-methylbutyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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![L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-(3-methylbutyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/41b4cd4cb28849bf8d2b4b703373b16a.png "L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-(3-methylbutyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)")
L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-(3-methylbutyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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CAS No:
220440-68-6
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Formula:
C48H70N8O12
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Chemical Name:
L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-(3-methylbutyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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Synonyms:
Azapeptide-based compound 48;220440-68-6;BDBM3907;CHEMBL3301632;DTXSID30349313;(4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-{[(3-methylbutyl)({[(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-(3-methylbutyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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CAS No:
L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-(3-methylbutyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI) Basic Attributes
951.1 g/mol
950.51131970 g/mol
DTXSID30349313
Computed Properties
Molecular Weight:951.1
XLogP3:3.6
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:25
Exact Mass:950.51131970
Monoisotopic Mass:950.51131970
Topological Polar Surface Area:282
Heavy Atom Count:68
Complexity:1720
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-[[(phenylmethyl)amino]carbonyl]-2-propylhydrazide], (4R)- (9CI)
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L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-[[methyl(phenylmethyl)amino]carbonyl]-2-propylhydrazide], (4R)- (9CI)
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L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-(2-methylpropyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI) Structure
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