| CAS Number | 342888-28-2 |
| Catalog Number | AG00C65C(AGN-PC-0R9P4U) |
| Chemical Name | (S)-Boc-3-amino-2-(phenylsulfonylamino)-propionic acid |
| IUPAC Name | (2S)-2-(benzenesulfonamido)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
| InChI | InChI=1S/C14H20N2O6S/c1-14(2,3)22-13(19)15-9-11(12(17)18)16-23(20,21)10-7-5-4-6-8-10/h4-8,11,16H,9H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1 |
| InChI Key | SIWHQQQQQGDBKG-NSHDSACASA-N |
| MDL Number | MFCD04112668 |
| Molecular Formula | C14H20N2O6S |
| Molecular Weight | 344.3834 |
| SMILES | CC(OC(NC[C@@H](C(O)=O)NS(C1=CC=CC=C1)(=O)=O)=O)(C)C |
| Synonyms | (S)-BOC-3-AMINO-2-(PHENYLSULFONYLAMINO)-PROPIONIC ACID,
342888-28-2,
AC1MBSK1,
ZINC2526793,
4437AH,
MFCD04112668,
AKOS025404112,
ACM342888282,
RT-011634,
K-7836,
(2S)-2-(benzenesulfonamido)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid,
C14H20N2O6S,
CID2755993,
Boc-(S)-3-amino-2-(phenylsulfonylamino)propionic acid,
2-(benzenesulfonamido)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic Acid,
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| Complexity | 514 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.104g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 344.382g/mol |
| Monoisotopic Mass | 344.104g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number