| CAS Number | 85097-54-7 |
| Catalog Number | AG00G5M9(AGN-PC-0UXIVO) |
| Chemical Name | Boc-cys(bzl)-osu |
| IUPAC Name | (2,5-dioxopyrrolidin-1-yl) 3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate |
| InChI | InChI=1S/C19H24N2O6S/c1-19(2,3)26-18(25)20-14(12-28-11-13-7-5-4-6-8-13)17(24)27-21-15(22)9-10-16(21)23/h4-8,14H,9-12H2,1-3H3,(H,20,25) |
| InChI Key | TVSSLLYGMLXNIC-UHFFFAOYSA-N |
| MDL Number | MFCD00190786 |
| Molecular Formula | C19H24N2O6S |
| Molecular Weight | 408.4687 |
| NSC Number | 334325 |
| SMILES | O=C(OC(C)(C)C)N[C@H](CSCC1=CC=CC=C1)C(ON2C(CCC2=O)=O)=O |
| Synonyms | 85097-54-7,
(S)-2,5-Dioxopyrrolidin-1-yl 3-(benzylthio)-2-((tert-butoxycarbonyl)amino)propanoate,
(2,5-dioxopyrrolidin-1-yl) 3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,
NSC334325,
AC1L7DAO,
DTXSID50318723,
AKOS027282648,
NSC-334325,
N-(TERT-BUTOXYCARBONYL)-S-BENZYLCYSTEINE N-HYDROXYSUCCINIMIDE ESTER,
(2,5-dioxopyrrolidin-1-yl) (2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate,
BOC-CYS(BZL)-OSU,
CID333438,
3401-33-0,
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| Complexity | 582 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 408.136g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 408.469g/mol |
| Monoisotopic Mass | 408.136g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 127A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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