Basic information
- CAS
934240-37-6- Standard SMILES
COC(=O)[C@H](CCC(=O)c1ccc(OCc2ccccc2)cc1)NC(=O)OC(C)(C)C- InChIKey
RKMYDRDNGPTPFD-FQEVSTJZSA-N- Molecular formula
- C24H29NO6
- Average molar mass
- 427.5 g/mol
- Monoisotopic mass
- 427.19948764
Names & identifiers
- Preferred name
- methyl (2S)-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-5-oxo-5-{4-[(phenylmethyl)oxy]phenyl}pentanoate
- IUPAC
- methyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoate
- English name
- tert-butyl (S)-1-(methoxycarbonyl)-4-(4-(benzyloxy)phenyl)-4-oxobutylcarbamate
- Molecular formula
- C24H29NO6
- Molecular weight
- 427.49
Names & synonyms
methyl (2S)-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-5-oxo-5-{4-[(phenylmethyl)oxy]phenyl}pentanoatemethyl (2S)-2-((((1,1-dimethylethyl)oxy)carbonyl)amino)-5-oxo-5-(4-((phenylmethyl)oxy)phenyl)pentanoateRefChem:812104815-197-6934240-37-6tert-butyl (S)-1-(methoxycarbonyl)-4-(4-(benzyloxy)phenyl)-4-oxobutylcarbamateBenzenepentanoic acid, alpha-[[(1,1-dimethylethoxy)carbonyl]amino]-delta-oxo-4-(phenylmethoxy)-, methyl ester, (alphaS)-methyl(2S)-2-({[(1,1-dimethylethyl)oxy]carbonyl}amino)-5-oxo-5-{4-[(phenylmethyl)oxy]phenyl}pentanoateSCHEMBL311817methyl (2S)-5-[4-(benzyloxy)phenyl]-2-{[(tert-butoxy)carbonyl]amino}-5-oxopentanoateRKMYDRDNGPTPFD-FQEVSTJZSA-NDTXSID401119749
Show more names
methyl (S)-5-(4-(benzyloxy)phenyl)-2-((tert-butoxycarbonyl)amino)-5-oxopentanoateBenzenepentanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-δ-oxo-4-(phenylmethoxy)-, methyl ester, (αS)-
DB-198372Methyl (2S)-5-[4-(benzyloxy)phenyl]-2-[(tert-butoxycarbonyl)amino]-5-oxopentanoatemethyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-5-(4-phenylmethoxyphenyl)pentanoateMethyl (I+/-S)-I+/--[[(1,1-dimethylethoxy)carbonyl]amino]-I -oxo-4-(phenylmethoxy)benzenepentanoate
Database identifiers
- CAS
934240-37-6- PubChem CID
- 59164841
- DTXSID
DTXSID401119749- EC Number
- 815-197-6
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 90.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- REACH Registrations
- Inactive
Safety & regulation
Hazard information
Regulatory InformationStatus: Cease Manufacture Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24363
Regulatory information
Regulatory InformationStatus: Cease Manufacture Update: 27-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24363
Safety data
- REACH Registrations
- Inactive
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海创焰化学科技有限公司021-11111111 11111111111 · [email protected]
济南尚博医药股份有限公司0531-61320525 15866703830 · [email protected]
上海智乾生物科技有限公司[email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
12 records
Compound notes
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