| CAS Number | 217099-14-4 |
| Catalog Number | AG01E758(AGN-PC-0QY8EA) |
| Chemical Name | Cyclo(L-arginylglycyl-L-α-aspartyl-D-tyrosyl-L-lysyl) |
| IUPAC Name | 2-[(2R,5R,8S,11S)-8-(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-5-[(4-hydroxyphenyl)methyl]-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]acetic acid |
| InChI | InChI=1S/C27H41N9O8/c28-10-2-1-4-18-24(42)34-17(5-3-11-31-27(29)30)23(41)32-14-21(38)33-20(13-22(39)40)26(44)36-19(25(43)35-18)12-15-6-8-16(37)9-7-15/h6-9,17-20,37H,1-5,10-14,28H2,(H,32,41)(H,33,38)(H,34,42)(H,35,43)(H,36,44)(H,39,40)(H4,29,30,31)/t17-,18-,19+,20+/m0/s1 |
| InChI Key | LAROZEWEPNAWMD-VNTMZGSJSA-N |
| MDL Number | MFCD08459533 |
| Molecular Formula | C27H41N9O8 |
| Molecular Weight | 619.6699 |
| SMILES | C([C@@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(O)=O)C(=O)N1)C2=CC=C(O)C=C2 |
| Synonyms | Cyclo(-Arg-Gly-Asp-D-Tyr-Lys),
ZINC301320073,
217099-14-4,
|
| Complexity | 1040 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 619.308g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 10 |
| Hydrogen Bond Donor Count | 10 |
| Isotope Atom Count | 0 |
| Molecular Weight | 619.68g/mol |
| Monoisotopic Mass | 619.308g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 293A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number