| CAS Number | 99793-10-9 |
| Catalog Number | AG003W4M(AGN-PC-0W9W35) |
| Chemical Name | Z-L-Aspartic acid beta-allyl ester |
| IUPAC Name | (2S)-4-oxo-2-(phenylmethoxycarbonylamino)-4-prop-2-enoxybutanoic acid |
| InChI | InChI=1S/C15H17NO6/c1-2-8-21-13(17)9-12(14(18)19)16-15(20)22-10-11-6-4-3-5-7-11/h2-7,12H,1,8-10H2,(H,16,20)(H,18,19)/t12-/m0/s1 |
| InChI Key | LKXLDZQGKGEICY-LBPRGKRZSA-N |
| MDL Number | MFCD06796904 |
| Molecular Formula | C15H17NO6 |
| Molecular Weight | 307.2986 |
| SMILES | C=CCOC(=O)C[C@@H](C(=O)O)NC(=O)OCc1ccccc1 |
| Synonyms | 99793-10-9,
Z-L-aspartic acid b-allyl ester,
Z-Asp(OAll)-OH,
(S)-4-(Allyloxy)-2-(((benzyloxy)carbonyl)amino)-4-oxobutanoic acid,
Z-L-aspartic acid ss-allyl ester,
Z-L-aspartic acid beta-allyl ester,
MFCD06796904,
ZINC94568742,
AKOS027384367,
X5760,
A-9315,
N-(Benzyloxycarbonyl)-L-aspartic acid 4-allyl ester,
N-alpha-Benzyloxycarbonyl-L-aspartic acid beta allyl ester,
L-Aspartic acid,N-[(phenylmethoxy)carbonyl]-, 4-(2-propen-1-yl) ester,
C15H17NO6,
Z-L-aspartic acid ?-allyl ester,
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| Complexity | 403 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 307.106g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.302g/mol |
| Monoisotopic Mass | 307.106g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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