| CAS Number | 21467-17-4 |
| Catalog Number | AG00C1MU(AGN-PC-0O7V2B) |
| Chemical Name | Z-Ala-gln-oh |
| IUPAC Name | (2S)-5-amino-5-oxo-2-[[(2S)-2-(phenylmethoxycarbonylamino)propanoyl]amino]pentanoic acid |
| InChI | InChI=1S/C16H21N3O6/c1-10(14(21)19-12(15(22)23)7-8-13(17)20)18-16(24)25-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H2,17,20)(H,18,24)(H,19,21)(H,22,23)/t10-,12-/m0/s1 |
| InChI Key | HJZNKZNHXJQTEU-JQWIXIFHSA-N |
| MDL Number | MFCD00155524 |
| Molecular Formula | C16H21N3O6 |
| Molecular Weight | 351.3544 |
| SMILES | O=C(O)[C@@H](NC([C@@H](NC(OCC1=CC=CC=C1)=O)C)=O)CCC(N)=O |
| Synonyms | Z-ALA-GLN-OH,
21467-17-4,
Z-L-alanyl-L-glutamine,
SCHEMBL8020373,
HJZNKZNHXJQTEU-JQWIXIFHSA-N,
ZINC2530804,
N-carbobenzoxy-L-alanyl-L-glutamine,
MFCD00155524,
AKOS027340102,
N-(benzyloxycarbonyl)-alanyl-glutamine,
AS-19613,
K-6142,
J-014087,
(S)-5-Amino-2-((S)-2-(((benzyloxy)carbonyl)amino)propanamido)-5-oxopentanoic acid,
|
| Complexity | 490 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 351.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 351.359g/mol |
| Monoisotopic Mass | 351.143g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 148A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number