| CAS Number | 108392-27-4 |
| Catalog Number | AG01EB2P(AGN-PC-0OYF7U) |
| Chemical Name | Suc-Ala-Ala-Pro-Abu-pNA trifluoroacetate salt |
| IUPAC Name | 4-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-(4-nitroanilino)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C25H34N6O9/c1-4-18(23(36)28-16-7-9-17(10-8-16)31(39)40)29-24(37)19-6-5-13-30(19)25(38)15(3)27-22(35)14(2)26-20(32)11-12-21(33)34/h7-10,14-15,18-19H,4-6,11-13H2,1-3H3,(H,26,32)(H,27,35)(H,28,36)(H,29,37)(H,33,34)/t14-,15-,18-,19-/m0/s1 |
| InChI Key | SSDBXDGLQPOZGD-LNMJFAINSA-N |
| MDL Number | MFCD00171694 |
| Molecular Formula | C25H34N6O9 |
| Molecular Weight | 562.5723 |
| SMILES | CC[C@@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)CCC(=O)O)C)C |
| Synonyms | 108392-27-4,
ZINC102244671,
Suc-Ala-Ala-Pro-Abu-pNA trifluoroacetate salt,
Suc-AAP-Abu-pNA pound>>Elastase Colorimetric Substrate IV,
Suc-Ala-Ala-Pro-Abu-pNA,
|
| Complexity | 976 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 4 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 562.239g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 40 |
| Hydrogen Bond Acceptor Count | 9 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 562.58g/mol |
| Monoisotopic Mass | 562.239g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 220A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.3 |
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Certificate of Analysis
Lot Number