| CAS Number | 68982-90-1 |
| Catalog Number | AG005ZFV(AGN-PC-05WXMM) |
| Chemical Name | CHYMOTRYPSIN SUBSTRATE I, COLORIMETRIC |
| EC Number | 273-486-7 |
| IUPAC Name | 4-[[2-[[2-[[(2S)-1-(4-nitroanilino)-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C23H25N5O8/c29-19(10-11-22(32)33)24-13-20(30)25-14-21(31)27-18(12-15-4-2-1-3-5-15)23(34)26-16-6-8-17(9-7-16)28(35)36/h1-9,18H,10-14H2,(H,24,29)(H,25,30)(H,26,34)(H,27,31)(H,32,33)/t18-/m0/s1 |
| InChI Key | CFYIUBWVKZQDOG-SFHVURJKSA-N |
| MDL Number | MFCD00038721 |
| Molecular Formula | C23H25N5O8 |
| Molecular Weight | 499.4733 |
| SMILES | [C@@H](NC(=O)CNC(=O)CNC(=O)CCC(=O)O)(C(=O)NC1C=CC(=CC=1)N(=O)=O)CC1C=CC=CC=1 |
| Synonyms | N-Suc-Gly-Phe-4-nitroanilide,
N-succinylglycyl-phenylalanine-4-nitroanilide,
SGPNA,
SucGly2Phe-4-nitroanilide,
Suc-Gly-Gly-Phe-Pna,
68982-90-1,
N-Succinyl-Gly-Gly-Phe-p-nitroanilide,
ZINC5273774,
EINECS 273-486-7,
MFCD00038721,
N-Succinylglycyl-phenylalanine-4-nitroanilide,
C-50683,
N-(3-Carboxypropionyl)glycylglycyl-N-(p-nitrophenyl)-3-phenyl-L-alaninamide,
L-Phenylalaninamide, N-(3-carboxy-1-oxopropyl)glycylglycyl-N-(4-nitrophenyl)-,
(S)-4-(2-(2-(1-(4-nitrophenylamino)-1-oxo-3-phenylpropan-2-ylamino)-2-oxoethylamino)-2-oxoethylamino)-4-oxobutanoic acid,
CHYMOTRYPSINSUBSTRATEI,COLORIMETRIC,
|
| Complexity | 801 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 499.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 499.48g/mol |
| Monoisotopic Mass | 499.17g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 200A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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