| CAS Number | 6154-39-8 |
| Catalog Number | AG00EDID(AGN-PC-0ODERG) |
| Chemical Name | Z-Gly-gln-oh |
| IUPAC Name | (2S)-5-amino-5-oxo-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]pentanoic acid |
| InChI | InChI=1S/C15H19N3O6/c16-12(19)7-6-11(14(21)22)18-13(20)8-17-15(23)24-9-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,16,19)(H,17,23)(H,18,20)(H,21,22)/t11-/m0/s1 |
| InChI Key | BYMPQNRKDGXXFG-NSHDSACASA-N |
| MDL Number | MFCD00238447 |
| Molecular Formula | C15H19N3O6 |
| Molecular Weight | 337.3279 |
| SMILES | NC(CC[C@@H](C(O)=O)NC(CNC(OCC1=CC=CC=C1)=O)=O)=O |
| Synonyms | Z-GLY-GLN-OH,
6154-39-8,
C15H19N3O6,
SCHEMBL9319378,
ZINC2561184,
7911AH,
KM0521,
MFCD00238447,
AKOS030632554,
(S)-5-amino-2-(2-(benzyloxycarbonylamino)acetamido)-5-oxopentanoic acid,
CID7020259,
(2S)-4-carbamoyl-2-[(2-phenylmethoxycarbonylaminoacetyl)amino]butanoic Acid,
|
| Complexity | 462 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 337.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 337.332g/mol |
| Monoisotopic Mass | 337.127g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 148A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number