| CAS Number | 128802-76-6 |
| Catalog Number | AG000YED(AGN-PC-0PIUSS) |
| Chemical Name | Suc-ala-glu-pro-phe-pna |
| IUPAC Name | (4S)-4-[[(2S)-2-(3-carboxypropanoylamino)propanoyl]amino]-5-[(2S)-2-[[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-oxopentanoic acid |
| InChI | InChI=1S/C32H38N6O11/c1-19(33-26(39)14-16-28(42)43)29(44)35-23(13-15-27(40)41)32(47)37-17-5-8-25(37)31(46)36-24(18-20-6-3-2-4-7-20)30(45)34-21-9-11-22(12-10-21)38(48)49/h2-4,6-7,9-12,19,23-25H,5,8,13-18H2,1H3,(H,33,39)(H,34,45)(H,35,44)(H,36,46)(H,40,41)(H,42,43)/t19-,23-,24-,25-/m0/s1 |
| InChI Key | NXIHRDNJQWUSLK-KMAVCZJNSA-N |
| MDL Number | MFCD00238367 |
| Molecular Formula | C32H38N6O11 |
| Molecular Weight | 682.6777 |
| SMILES | C(=O)(O)CCC(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N1[C@@H](CCC1)C(N[C@H](C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])CC1=CC=CC=C1)=O)C |
| Synonyms | Suc-Ala-Glu-Pro-Phe-Pna,
128802-76-6,
C32H38N6O11,
7724AH,
MFCD00238367,
ZINC85544462,
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| Complexity | 1230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 682.26g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 49 |
| Hydrogen Bond Acceptor Count | 11 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 682.687g/mol |
| Monoisotopic Mass | 682.26g/mol |
| Rotatable Bond Count | 16 |
| Topological Polar Surface Area | 257A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number