methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
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![methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/23257f614d284a0182c59e3abb68b222.png "methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate")
methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
structure -
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CAS No:
24215-87-0
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Formula:
C24H30N2O5S
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Chemical Name:
methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate
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Synonyms:
24215-87-0;NSC169125;DTXSID40305102;NSC-169125;Methyl S-benzyl-N-[(benzyloxy)carbonyl]cysteinylvalinate
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CAS No:
methyl 2-[[3-benzylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-methylbutanoate Basic Attributes
458.6 g/mol
458.18754324 g/mol
169125
DTXSID40305102
Safety Information
|Warning|H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]|P273, P391, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Computed Properties
Molecular Weight:458.6
XLogP3:4.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:13
Exact Mass:458.18754324
Monoisotopic Mass:458.18754324
Topological Polar Surface Area:119
Heavy Atom Count:32
Complexity:589
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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