| CAS Number | 238084-15-6 |
| Catalog Number | AG007N6L(AGN-PC-0QZW2M) |
| Chemical Name | Fmoc-asp-amc |
| IUPAC Name | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid |
| InChI | InChI=1S/C29H24N2O7/c1-16-12-27(34)38-25-13-17(10-11-18(16)25)30-28(35)24(14-26(32)33)31-29(36)37-15-23-21-8-4-2-6-19(21)20-7-3-5-9-22(20)23/h2-13,23-24H,14-15H2,1H3,(H,30,35)(H,31,36)(H,32,33)/t24-/m0/s1 |
| InChI Key | DBJFCKXPEQMMDK-DEOSSOPVSA-N |
| MDL Number | MFCD02179638 |
| Molecular Formula | C29H24N2O7 |
| Molecular Weight | 512.5101 |
| SMILES | O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C(NC4=CC(O5)=C(C=C4)C(C)=CC5=O)=O |
| Synonyms | Fmoc-asp-amc,
238084-15-6,
Fmoc-L-Aspartic acid alpha-7-amido-4-methylcoumarin,
AC1MBSPI,
CTK8E9941,
DTXSID50373216,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(4-methyl-2-oxochromen-7-yl)amino]-4-oxobutanoic acid,
ZINC2577886,
MFCD02179638,
AKOS027251005,
RT-012976,
CID2756060,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[(4-methyl-2-,
3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(4-methyl-2-oxo-chromen-7-yl)carbamoyl]propanoic Acid,
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| Complexity | 943 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 512.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 38 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 512.518g/mol |
| Monoisotopic Mass | 512.158g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 131A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number