| CAS Number | 62024-09-3 |
| Catalog Number | AG0034Z4(AGN-PC-0ODLKP) |
| Chemical Name | Glycyl-L-histidyl-l-lysineacetatehemihydrate |
| IUPAC Name | 2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetic acid |
| InChI | InChI=1S/C14H24N6O4/c15-4-2-1-3-11(14(24)18-7-12(21)22)20-13(23)10(16)5-9-6-17-8-19-9/h6,8,10-11H,1-5,7,15-16H2,(H,17,19)(H,18,24)(H,20,23)(H,21,22)/t10-,11-/m0/s1 |
| InChI Key | XKIYNCLILDLGRS-QWRGUYRKSA-N |
| MDL Number | MFCD00012699 |
| Molecular Formula | C14H24N6O4 |
| Molecular Weight | 340.3782 |
| SMILES | NCCCC[C@@H](C(O)=O)NC([C@H](CC1C=NC=N1)NC(CN)=O)=O |
| Synonyms | Glycine, N-(N2-L-histidyl-L-lysyl)-,
N-(N2-L-Histidyl-L-lysyl)glycine,
62024-09-3,
2-((S)-6-Amino-2-((S)-2-amino-3-(1H-imidazol-4-yl)propanamido)hexanamido)acetic acid,
AC1L3Y5Q,
SCHEMBL8431409,
CTK2F6206,
DTXSID90211082,
ZINC4261917,
2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]hexanoyl]amino]acetic acid,
CID148962,
C14-H24-N6-O4,
Glycine,N-(N2-L-histidyl-L-lysyl)-,
glycyl-l-histidyl-l-lysineacetatehemihydrate,
GLYCYL-L-HISTIDYL-L-LYSINE ACETATE HEMIHYDRATE, 99,
|
| Complexity | 434 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.186g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.384g/mol |
| Monoisotopic Mass | 340.186g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 176A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -4.4 |
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Certificate of Analysis
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