L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-methyl-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-methyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/3d700be2c2b54bab8bf73ae5dc219319.png "L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-methyl-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-methyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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CAS No:
220440-72-2
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Formula:
C44H62N8O12
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Chemical Name:
L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-methyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI)
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Synonyms:
Azapeptide-based compound 42;220440-72-2;BDBM3901;CHEMBL3301637;DTXSID20349307;(4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-{[methyl({[(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-methyl-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-methyl-2-[[[(1S)-1-phenylethyl]amino]carbonyl]hydrazide], (4R)- (9CI) Basic Attributes
895.0 g/mol
894.44871944 g/mol
DTXSID20349307
Computed Properties
Molecular Weight:895.0
XLogP3:2
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:22
Exact Mass:894.44871944
Monoisotopic Mass:894.44871944
Topological Polar Surface Area:282
Heavy Atom Count:64
Complexity:1630
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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