| CAS Number | 2130-77-0 |
| Catalog Number | AG00C4MK(AGN-PC-0O7U8X) |
| Chemical Name | (2S)-2-amino-4-{[(benzyloxy)carbonyl]amino}butanoic acid |
| IUPAC Name | (2S)-2-amino-4-(phenylmethoxycarbonylamino)butanoic acid |
| InChI | InChI=1S/C12H16N2O4/c13-10(11(15)16)6-7-14-12(17)18-8-9-4-2-1-3-5-9/h1-5,10H,6-8,13H2,(H,14,17)(H,15,16)/t10-/m0/s1 |
| InChI Key | SDFDIECLEXOBAG-JTQLQIEISA-N |
| MDL Number | MFCD08275863 |
| Molecular Formula | C12H16N2O4 |
| Molecular Weight | 252.2664 |
| SMILES | O=C(OCc1ccccc1)NCC[C@@H](C(=O)O)N |
| Synonyms | 2130-77-0,
H-Dab(Z)-OH,
Butanoic acid, 2-amino-4-[[(phenylmethoxy)carbonyl]amino]-, (S)-,
CTK0J7725,
DTXSID00693279,
MFCD08275863,
AKOS007930169,
AKOS015891365,
N-gamma-z-L-2,4-Diaminobutyric acid,
I01-9653,
(S)-2-Amino-4-[(benzyloxycarbonyl)amino]butanoic acid,
(2S)-2-Amino-4-{[(benzyloxy)carbonyl]amino}butanoic acid,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.27g/mol |
| Monoisotopic Mass | 252.111g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 102A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number