| CAS Number | 67436-18-4 |
| Catalog Number | AG00FCQT(AGN-PC-0WAN6S) |
| Chemical Name | Z-Val-OEt |
| IUPAC Name | ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate |
| InChI | InChI=1S/C15H21NO4/c1-4-19-14(17)13(11(2)3)16-15(18)20-10-12-8-6-5-7-9-12/h5-9,11,13H,4,10H2,1-3H3,(H,16,18)/t13-/m0/s1 |
| InChI Key | KZBMEQVWSYFMNC-ZDUSSCGKSA-N |
| MDL Number | MFCD06658546 |
| Molecular Formula | C15H21NO4 |
| Molecular Weight | 279.3315 |
| SMILES | CC(C)[C@H](NC(OCC1=CC=CC=C1)=O)C(OCC)=O |
| Synonyms | Z-Val-OEt,
67436-18-4,
(S)-Ethyl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate,
(s)-n-cbz-valine ethyl ester,
SCHEMBL14595222,
DTXSID30454774,
MFCD06658546,
ZINC38227332,
AKOS022175211,
DS-6508,
AJ-94716,
ethyl (2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoate,
N-(Benzyloxycarbonyl)valine ethyl ester,
CID11087140,
Ethyl (2S)-3-methyl-2-phenylmethoxycarbonylamino-butanoate,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 279.147g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 279.336g/mol |
| Monoisotopic Mass | 279.147g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 64.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number