| CAS Number | 150113-99-8 |
| Catalog Number | AG00AP38(AGN-PC-0Q4A3A) |
| Chemical Name | N2-(1-Oxodecyl)-L-arginyl-L-valyl-N-[(1S)-4-[(aminoiminomethyl)amino]-1-(chloroacetyl)butyl]-L-lysinamide |
| IUPAC Name | N-[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(3S)-1-chloro-6-(diaminomethylideneamino)-2-oxohexan-3-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]decanamide |
| InChI | InChI=1S/C34H66ClN11O5/c1-4-5-6-7-8-9-10-18-28(48)43-25(17-14-21-42-34(39)40)31(50)46-29(23(2)3)32(51)45-26(15-11-12-19-36)30(49)44-24(27(47)22-35)16-13-20-41-33(37)38/h23-26,29H,4-22,36H2,1-3H3,(H,43,48)(H,44,49)(H,45,51)(H,46,50)(H4,37,38,41)(H4,39,40,42)/t24-,25-,26-,29-/m0/s1 |
| InChI Key | NHBJTTGFHCHQHS-VZTVMPNDSA-N |
| MDL Number | MFCD00798792 |
| Molecular Formula | C34H66ClN11O5 |
| Molecular Weight | 744.4115 |
| SMILES | NC(NCCC[C@H](NC([C@@H](NC([C@@H](NC([C@H](CCCNC(=N)N)NC(CCCCCCCCC)=O)=O)C(C)C)=O)CCCCN)=O)C(CCl)=O)=N |
| Synonyms | dec-RVKR-CH2Cl,
Dec-RVKR-CMK,
decanoylRVKR CH2Cl,
decanoylRVKRchloromethylketone,
decRVKRcmk,
150113-99-8,
DECANOYL-ARG-VAL-LYS-ARG-CHLOROMETHYLKETONE,
decanoyl-Arg-Val-Lys-Arg-chloromethyl ketone,
Dec-RVKR-CMK,
ZINC98052548,
AKOS024457645,
decanoyl-Arg-Val-Lys-Arg chloromethylketone,
decanoyl-Arg-Val-Lys-Arg-chloromethyl-ketone,
Decanoyl-RVKR-CMK,
CID9962075,
CID 9962075,
|
| Complexity | 1100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 743.494g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 51 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 9 |
| Isotope Atom Count | 0 |
| Molecular Weight | 744.424g/mol |
| Monoisotopic Mass | 743.494g/mol |
| Rotatable Bond Count | 30 |
| Topological Polar Surface Area | 288A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number