| CAS Number | 52235-17-3 |
| Catalog Number | AG00D96U(AGN-PC-0OBO7J) |
| Chemical Name | D-Leucine, N-[(phenylmethoxy)carbonyl]-, 4-nitrophenyl ester |
| IUPAC Name | (4-nitrophenyl) (2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate |
| InChI | InChI=1S/C20H22N2O6/c1-14(2)12-18(21-20(24)27-13-15-6-4-3-5-7-15)19(23)28-17-10-8-16(9-11-17)22(25)26/h3-11,14,18H,12-13H2,1-2H3,(H,21,24)/t18-/m1/s1 |
| InChI Key | UALXQWNUXKECJD-GOSISDBHSA-N |
| MDL Number | MFCD00153338 |
| Molecular Formula | C20H22N2O6 |
| Molecular Weight | 386.3985 |
| SMILES | O(C(=O)[C@H](NC(=O)OCc1ccccc1)CC(C)C)c1ccc(cc1)N(=O)=O |
| Synonyms | Z-D-Leu-ONp,
52235-17-3,
AC1ODWSB,
(4-nitrophenyl) (2R)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoate,
CHEMBL3278857,
DTXSID20426400,
ZINC1724801,
7353AB,
MFCD00153338,
AKOS016001526,
ACM52235173,
AS-49241,
AX8156949,
K-9551,
4-Nitrophenyl N-[(benzyloxy)carbonyl]-D-leucinate,
N-(Benzyloxycarbonyl)-D-leucine 4-nitrophenyl ester,
N-alpha-Benzyloxycarbonyl-D-leucine p-nitrophenyl ester,
(R)-4-nitrophenyl 2-(benzyloxycarbonylamino)-4-methylpentanoate,
C20H22N2O6,
CID6994903,
Carbobenzoxy-L-leucine p-nitrophenyl ester,
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| Complexity | 519 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 386.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 386.404g/mol |
| Monoisotopic Mass | 386.148g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 110A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number