N(2)-Dansyl-L-arginine-4-t-butylpiperidine amide
2-[(4S)-5-(4-tert-butylpiperidin-1-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentyl]guanidine
Also Known As: No 233|TI 233|N(2)-Dansyl-L-arginine-4-t-butylpiperidine amide|TI-233|N -dansyl-L-arginine-4-t-butylpiperidineamide|2-[(4S)-5-(4-tert-butylpiperidin-1-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentyl]guanidine|Piperidine, 1-(5-((aminoiminomethyl)amino)-2-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-4-(1,1-dimethylethyl)-, (S)-|4-Isopropyl-1-(N(2)-(5,6-dimethylaminonaphthalene)-1-sulfonyl-L-arginyl)piperidine|4-tert-Butyl-1-(N(2)-(5-dimethylaminonaphthalene)-1-sulfonyl-L-arginyl)piperidine|N-{(2S)-1-(4-tert-Butylpiperidin-1-yl)-5-[(diaminomethylidene)amino]-1-oxopentan-2-yl}-5-(dimethylamino)naphthalene-1-sulfonamide|Piperidine, 1-(5-((aminoiminomethyl)amino)-2-(((5-(dimethylamino)-1-naphthalenyl)sulfonyl)amino)-1-oxopentyl)-4-(1,1-dimethylethyl)-, (S)-, diacetate
| Molecular Formula | C27H42N6O3S |
|---|---|
| Molecular Weight | 530.3039 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 530.3039 |
| Monoisotopic Mass | 530.3039 |
| Heavy Atoms | 37 |
| Complexity | 883.0 |
Chemical Identifiers
| CAS Number | 74133-53-2 |
|---|---|
| SMILES | CC(C)(C)C1CCN(CC1)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C2=CC=CC3=C2C=CC=C3N(C)C |
| InChIKey | WWQLRAHPSLWIDR-QFIPXVFZSA-N |
Product Overview
N(2)-Dansyl-L-arginine-4-t-butylpiperidine amide (CAS 74133-53-2), with molecular formula C27H42N6O3S and molecular weight 530.3039 g/mol. IUPAC: 2-[(4S)-5-(4-tert-butylpiperidin-1-yl)-4-[[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-5-oxopentyl]guanidine.