tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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![tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/bff93bcd79dc4773b79dd909ed2196fe.png "tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate")
tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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CAS No:
159698-59-6
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Formula:
C32H47N5O5
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Chemical Name:
tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate
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Synonyms:
N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl-N-(7-((aminocarbonyl)amino)heptyl)methyl-D-phenylalaninamide;PD 157672;PD-157672;159698-59-6;DTXSID40936157;N-((1,1-Dimethylethoxy)carbonyl)-L-phenylalanyl-N-(7-((aminocarbonyl)amino)heptyl)methyl-D-phenylalaninamide;2-{[tert-Butoxy(hydroxy)methylidene]amino}-N-[N-(7-{[hydroxy(imino)methyl]amino}heptyl)-alpha-methylphenylalanyl]-3-phenylpropanimidic acid
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CAS No:
tert-butyl N-[(2S)-1-[[(2R)-2-[7-(carbamoylamino)heptylamino]-2-methyl-3-phenylpropanoyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate Basic Attributes
581.7 g/mol
581.35771962 g/mol
Drug Information
N-((1,1-dimethylethoxy)carbonyl)-L-phenylalanyl-N-(7-((aminocarbonyl)amino)heptyl)methyl-D-phenylalaninamide
Computed Properties
Molecular Weight:581.7
XLogP3:4.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:18
Exact Mass:581.35771962
Monoisotopic Mass:581.35771962
Topological Polar Surface Area:152
Heavy Atom Count:42
Complexity:849
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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