| CAS Number | 185547-52-8 |
| Catalog Number | AG0076SB(AGN-PC-0QEI38) |
| Chemical Name | (3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-[(4-nitrophenyl)carbamoyl]propanoic acid |
| IUPAC Name | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitroanilino)-4-oxobutanoic acid |
| InChI | InChI=1S/C25H21N3O7/c29-23(30)13-22(24(31)26-15-9-11-16(12-10-15)28(33)34)27-25(32)35-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-12,21-22H,13-14H2,(H,26,31)(H,27,32)(H,29,30)/t22-/m0/s1 |
| InChI Key | WIGASSLCYMGNEA-QFIPXVFZSA-N |
| MDL Number | MFCD02179637 |
| Molecular Formula | C25H21N3O7 |
| Molecular Weight | 475.4501 |
| SMILES | O=C(N[C@H](C(=O)Nc1ccc(cc1)[N+](=O)[O-])CC(=O)O)OCC1c2ccccc2-c2c1cccc2 |
| Synonyms | Fmoc-L-aspartic acid alpha-4-nitroanilide,
185547-52-8,
(3S)-3-{[(9H-FLUOREN-9-YLMETHOXY)CARBONYL]AMINO}-3-[(4-NITROPHENYL)CARBAMOYL]PROPANOIC ACID,
AC1MBSPF,
CTK8E9939,
DTXSID90373215,
6918AH,
MFCD02179637,
ZINC14632628,
AKOS027250934,
RT-012975,
J-011903,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitroanilino)-4-oxobutanoic acid,
C25H21N3O7,
CID2756059,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(4-nitroanili,
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-nitrophenyl)carbamoyl]propanoic Acid,
|
| Complexity | 770 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 475.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 35 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 475.457g/mol |
| Monoisotopic Mass | 475.138g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 151A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number