| CAS Number | 144110-38-3 |
| Catalog Number | AG01DZLH(AGN-PC-071DRO) |
| Chemical Name | ArphamenineBHemisulfate |
| IUPAC Name | (2S,5R)-5-amino-8-(diaminomethylideneamino)-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoic acid;sulfuric acid |
| InChI | InChI=1S/2C16H24N4O4.H2O4S/c2*17-13(2-1-7-20-16(18)19)14(22)9-11(15(23)24)8-10-3-5-12(21)6-4-10;1-5(2,3)4/h2*3-6,11,13,21H,1-2,7-9,17H2,(H,23,24)(H4,18,19,20);(H2,1,2,3,4)/t2*11-,13+;/m00./s1 |
| InChI Key | AUNSMFLBHPILAD-BGXAZEKTSA-N |
| MDL Number | MFCD07366491 |
| Molecular Formula | C16H26N4O8S |
| Molecular Weight | 434.4646 |
| SMILES | O=C([C@@H](N)CCCNC(N)=N)C[C@H](C(O)=O)CC1=CC=C(O)C=C1.OS(O)(=O)=O |
| Synonyms | 5-amino-8-guanidino-2-(4-hydroxyphenylmethyl)-4-oxooctanoic acid,
arphamenine B,
Arphamenine B,
144110-38-3,
-5-AMINO-8-GUANIDINO-4-OXO-2-P-HYDROXYPHENYLMETHYLOCTANOICACIDHEMISULFATEMONOHYDRATE,
|
| Complexity | 525 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 770.32689g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 53 |
| Hydrogen Bond Acceptor Count | 16 |
| Hydrogen Bond Donor Count | 12 |
| Isotope Atom Count | 0 |
| Molecular Weight | 770.9g/mol |
| Monoisotopic Mass | 770.32689g/mol |
| Rotatable Bond Count | 20 |
| Topological Polar Surface Area | 413Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number