| CAS Number | 2126144-72-5 |
| Catalog Number | AG01FSKW(AGN-PC-3H607L) |
| Chemical Name | tert-Butyl ((2R,3R)-4-(4-acetamido-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate |
| IUPAC Name | tert-butyl N-[(2R,3R)-4-[(4-acetamidophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate |
| InChI | InChI=1S/C27H39N3O6S/c1-19(2)17-30(37(34,35)23-14-12-22(13-15-23)28-20(3)31)18-25(32)24(16-21-10-8-7-9-11-21)29-26(33)36-27(4,5)6/h7-15,19,24-25,32H,16-18H2,1-6H3,(H,28,31)(H,29,33)/t24-,25-/m1/s1 |
| InChI Key | DLTXJYDTAMDTLN-JWQCQUIFSA-N |
| MDL Number | MFCD31381099 |
| Molecular Formula | C27H39N3O6S |
| Molecular Weight | 533.6801 |
| SMILES | O=C(OC(C)(C)C)N[C@@H]([C@H](O)CN(CC(C)C)S(=O)(C1=CC=C(NC(C)=O)C=C1)=O)CC2=CC=CC=C2 |
| Synonyms | 2126144-72-5,
tert-Butyl ((2R,3R)-4-(4-acetamido-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate,
KS-00000UAI,
ZINC218241178,
|
| Complexity | 822 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 533.255957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 37 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 533.7g/mol |
| Monoisotopic Mass | 533.255957g/mol |
| Rotatable Bond Count | 13 |
| Topological Polar Surface Area | 133Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number