Basic information
- CAS
959576-36-4- Standard SMILES
CC(C)(C)OC(=O)N1C[C@H](Cc2cccc(Cl)c2)C[C@H]1C(=O)O- InChIKey
RAJKVFMPBMVDDC-OCCSQVGLSA-N- Molecular formula
- C17H22ClNO4
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.1237359
Names & identifiers
- Preferred name
- (2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S,4R)-4-[(3-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
- English name
- (2S,4R)-1-(tert-butoxycarbonyl)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylic acid
- Molecular formula
- C17H22ClNO4
- Molecular weight
- 339.81
Names & synonyms
959576-36-4(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylic acidBoc-(R)-gamma-(3-chloro-benzyl)-L-prolineMFCD06659395(2S,4R)-4-[(3-chlorophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acidSCHEMBL1372975DTXSID10376006AKOS015949672(2S,4R)-1-(tert-Butoxycarbonyl)-4-(3-chlorobenzyl)pyrrolidine-2-carboxylicacid(2S,4R)-1-tert-butoxycarbonyl-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acidPS-12647CS-0060907
Show more names
Boc-(R)-γ-(3-chloro-benzyl)-L-prolineN-Boc-(4R)-4-(3-chlorobenzyl)-L-proline(Tert-Butoxy)Carbonyl (R)-γ-(3-chloro-benzyl)-L-ProN-(t-Butoxycarbonyl)-trans-4-(3-chlorobenzyl)-L-proline1,2-Pyrrolidinedicarboxylic acid, 4-[(3-chlorophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S,4R)-
(4R)-1-(tert-Butoxycarbonyl)-4-[(3-chlorophenyl)methyl]-L-proline(2S,4R)-1-[(tert-butoxy)carbonyl]-4-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers26 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
江苏吉泰肽业科技有限公司18936337900 18936337900 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海安化生物技术有限公司021-61263375 18168859245
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
无锡亚肽生物科技有限公司0510-83583050 13771062561 · [email protected]
上海研纷生化科技有限公司13611955358 15002190549 · [email protected]
深圳乾延药物研发科技有限公司0755-28682735 13538090636 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
GL Biochem (Shanghai) Ltd.+86-021-61263370 +86-18901917034
吉尔多肽生物制药（大连市）有限公司021-61263455 13167021076 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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