| CAS Number | 273399-94-3 |
| Catalog Number | AG00C3IZ(AGN-PC-0R368O) |
| Chemical Name | Fmoc-(S)-3-amino-2-(phenylsulfonylamino)-propionic acid |
| IUPAC Name | (2S)-2-(benzenesulfonamido)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid |
| InChI | InChI=1S/C24H22N2O6S/c27-23(28)22(26-33(30,31)16-8-2-1-3-9-16)14-25-24(29)32-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22,26H,14-15H2,(H,25,29)(H,27,28)/t22-/m0/s1 |
| InChI Key | RJLJTSZSIHKGJS-QFIPXVFZSA-N |
| MDL Number | MFCD04112690 |
| Molecular Formula | C24H22N2O6S |
| Molecular Weight | 466.5063 |
| SMILES | O=C(O)[C@@H](NS(=O)(C1=CC=CC=C1)=O)CNC(OCC2C3=C(C4=C2C=CC=C4)C=CC=C3)=O |
| Synonyms | Fmoc-(S)-3-amino-2-(phenylsulfonylamino)-propionic acid,
273399-94-3,
(S)-FMOC-3-AMINO-2-(PHENYLSULFONYLAMINO)-PROPIONIC ACID,
AC1MBSYL,
ZINC2526808,
6743AH,
MFCD04112690,
AKOS027340181,
ACM273399943,
A-8709,
Fmoc-(S)3-amino-2-(phenylsulfonylamino)propionic acid,
(2S)-2-(benzenesulfonamido)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid,
(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-2-(phenylsulfonamido)propanoic acid,
C24H22N2O6S,
CID2756171,
2-(benzenesulfonamido)-3-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic Acid,
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| Complexity | 769 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 466.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 33 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 466.508g/mol |
| Monoisotopic Mass | 466.12g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 130A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
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