| CAS Number | 16948-39-3 |
| Catalog Number | AG00ACGN(AGN-PC-0Q9GAS) |
| Chemical Name | 4-nitrophenyl (2S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoate |
| IUPAC Name | (4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate |
| InChI | InChI=1S/C21H24N2O7/c1-21(2,3)30-20(25)22-18(14-28-13-15-7-5-4-6-8-15)19(24)29-17-11-9-16(10-12-17)23(26)27/h4-12,18H,13-14H2,1-3H3,(H,22,25)/t18-/m0/s1 |
| InChI Key | CLAREYWIWVFFND-SFHVURJKSA-N |
| MDL Number | MFCD02094732 |
| Molecular Formula | C21H24N2O7 |
| Molecular Weight | 416.4245 |
| SMILES | CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)OC1=CC=C(C=C1)[N+]([O-])=O |
| Synonyms | Boc-Ser(Bzl)-Onp,
16948-39-3,
C21H24N2O7,
4-nitrophenyl (2S)-3-(benzyloxy)-2-{[(tert-butoxy)carbonyl]amino}propanoate,
6443AH,
MFCD02094732,
ZINC71788009,
AS-46840,
|
| Complexity | 571 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 416.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 30 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 416.43g/mol |
| Monoisotopic Mass | 416.158g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 120A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
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Certificate of Analysis
Lot Number