Basic information
- CAS
1217648-30-0- Standard SMILES
CC(C)(C)OC(=O)N1CCC[C@]1(Cc1ccc2ccccc2c1)C(=O)O- InChIKey
NIOMUOZNEGRIFH-NRFANRHFSA-N- Molecular formula
- C21H25NO4
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.17835828
Names & identifiers
- Preferred name
- (S)-1-(tert-Butoxycarbonyl)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid
- IUPAC
- (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid
- English name
- Boc-(S)-alpha-(2-naphthalenylmethyl)-proline
- Molecular formula
- C21H25NO4
- Molecular weight
- 355.43
Names & synonyms
1217648-30-0(S)-1-(tert-Butoxycarbonyl)-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acidBOC-(S)-ALPHA-(2-NAPHTHALENYLMETHYL)-PROLINE(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic AcidMFCD06659189(2S)-1-[(tert-butoxy)carbonyl]-2-[(naphthalen-2-yl)methyl]pyrrolidine-2-carboxylic acidstarbld0000447DTXSID00426862(2S)-1-tert-butoxycarbonyl-2-(2-naphthylmethyl)pyrrolidine-2-carboxylic acidAKOS016844097PS-12578I81311
Show more names
Boc-(S)-a-(2-naphthalenylmethyl)prolineN-(t-Butoxycarbonyl)-2-(2-naphthylmethyl)-D-prolineN-α-t-Butoxycarbonyl-(S)-α-(2-Naphthylmethyl)proline(Tert-Butoxy)Carbonyl (S)-Alpha-(2-Naphthalenylmethyl)-Pro1,2-Pyrrolidinedicarboxylic acid, 2-(2-naphthalenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S)-
1-(tert-Butoxycarbonyl)-2-[(naphthalen-2-yl)methyl]-D-proline
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 524.1 · 524.1±43.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 4.2 · 4.20±0.20(Predicted)
Chemistry & industry
Suppliers8 total
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海吉尔多肽有限公司+86-21-61263310 13764994101 · [email protected]
上海智乾生物科技有限公司[email protected]
滨海吉尔多肽有限公司021-61263389 13524856427 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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