| CAS Number | 108963-70-8 |
| Catalog Number | AG008TLT(AGN-PC-0OZ1TH) |
| Chemical Name | D-Lys(Z)-Pro-Arg-pNA (diacetate) |
| IUPAC Name | acetic acid;benzyl N-[(5R)-5-amino-6-[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-6-oxohexyl]carbamate |
| InChI | InChI=1S/C31H43N9O7.2C2H4O2/c32-24(10-4-5-17-36-31(44)47-20-21-8-2-1-3-9-21)29(43)39-19-7-12-26(39)28(42)38-25(11-6-18-35-30(33)34)27(41)37-22-13-15-23(16-14-22)40(45)46;2*1-2(3)4/h1-3,8-9,13-16,24-26H,4-7,10-12,17-20,32H2,(H,36,44)(H,37,41)(H,38,42)(H4,33,34,35);2*1H3,(H,3,4)/t24-,25+,26+;;/m1../s1 |
| InChI Key | VMCWZMKBOZNVHX-ANSAKZOLSA-N |
| MDL Number | MFCD29472230 |
| Molecular Formula | C35H51N9O11 |
| Molecular Weight | 773.8331 |
| SMILES | CC(O)=O.CC(O)=O.C1C=C(COC(=O)NCCCC[C@@H](N)C(N2[C@H](C(N[C@H](C(NC3=CC=C([N+]([O-])=O)C=C3)=O)CCCNC(N)=N)=O)CCC2)=O)C=CC=1 |
| Synonyms | D-Lys(Z)-Pro-Arg-pNA (diacetate),
108963-70-8,
D-Lys(Z)-Pro-Arg-pNA diacetate,
HY-P0021A,
AKOS032944921,
CS-4603,
|
| Complexity | 1100 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 773.371g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 55 |
| Hydrogen Bond Acceptor Count | 13 |
| Hydrogen Bond Donor Count | 8 |
| Isotope Atom Count | 0 |
| Molecular Weight | 773.845g/mol |
| Monoisotopic Mass | 773.371g/mol |
| Rotatable Bond Count | 17 |
| Topological Polar Surface Area | 328A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
Lot Number