N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide
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![N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/5132773ab9fc45f192092edc899cb841.png "N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide")
N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide
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CAS No:
139694-65-8
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Formula:
C31H41N5O7
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Chemical Name:
N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide
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Synonyms:
L-Prolinamide,N2-[(phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-;L-Prolinamide,N2-[(phenylmethoxy)carbonyl]-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-;N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide;KNI 102;RPI 312
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CAS No:
N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide Basic Attributes
595.7 g/mol
595.69
DTXSID70161152
Drug Information
1-(3-(N-alpha-benzyloxycarbonyl-L-asparaginyl)amino-2-hydroxy-4-phenylbutyryl)-N-tert-butyl-L-prolinamide
Computed Properties
Molecular Weight:595.7
XLogP3:1.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:14
Exact Mass:595.30059866
Monoisotopic Mass:595.30059866
Topological Polar Surface Area:180
Heavy Atom Count:43
Complexity:972
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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