L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-[[[(1S)-1-phenylethyl]amino]carbonyl]-2-(2,2,2-trifluoroethyl)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-[[[(1S)-1-phenylethyl]amino]carbonyl]-2-(2,2,2-trifluoroethyl)hydrazide], (4R)- (9CI) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/acd202078514446aaa2aa6cbd7f0bc77.png "L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-[[[(1S)-1-phenylethyl]amino]carbonyl]-2-(2,2,2-trifluoroethyl)hydrazide], (4R)- (9CI)")
L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-[[[(1S)-1-phenylethyl]amino]carbonyl]-2-(2,2,2-trifluoroethyl)hydrazide], (4R)- (9CI)
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CAS No:
220440-89-1
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Formula:
C45H61F3N8O12
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Chemical Name:
L-Proline, N-acetyl-L-α-aspartyl-D-α-glutamyl-L-isoleucyl-L-valyl-4-(phenylmethoxy)-, 5-[2-[[[(1S)-1-phenylethyl]amino]carbonyl]-2-(2,2,2-trifluoroethyl)hydrazide], (4R)- (9CI)
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Synonyms:
Azapeptide-based compound 49;220440-89-1;BDBM3908;CHEMBL3301631;DTXSID90349314;(4R)-4-{[(1S)-1-{[(2S)-1-[(2S,4R)-4-(benzyloxy)-2-[({[(1S)-1-phenylethyl]carbamoyl}(2,2,2-trifluoroethyl)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-[[[(1S)-1-phenylethyl]amino]carbonyl]-2-(2,2,2-trifluoroethyl)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-[[[(1S)-1-phenylethyl]amino]carbonyl]-2-(2,2,2-trifluoroethyl)hydrazide], (4R)- (9CI) Basic Attributes
963.0 g/mol
962.43610390 g/mol
DTXSID90349314
Computed Properties
Molecular Weight:963.0
XLogP3:3.1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:15
Rotatable Bond Count:23
Exact Mass:962.43610390
Monoisotopic Mass:962.43610390
Topological Polar Surface Area:282
Heavy Atom Count:68
Complexity:1760
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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