L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-ethyl-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-ethyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/81943332144f466db7639afbd0cc08a1.png "L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-ethyl-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-ethyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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CAS No:
220440-61-9
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Formula:
C45H64N8O12
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Chemical Name:
L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-ethyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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Synonyms:
Azapeptide-based compound 43;220440-61-9;BDBM3902;CHEMBL3301639;DTXSID80349308;(4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-{[ethyl({[(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-ethyl-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-ethyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI) Basic Attributes
909.0 g/mol
908.46436951 g/mol
DTXSID80349308
Computed Properties
Molecular Weight:909.0
XLogP3:2.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:23
Exact Mass:908.46436951
Monoisotopic Mass:908.46436951
Topological Polar Surface Area:282
Heavy Atom Count:65
Complexity:1650
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-(2-methylpropyl)-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI) Structure
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