| CAS Number | 654670-89-0 |
| Catalog Number | AG003AB0(AGN-PC-0TGVCW) |
| Chemical Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-[[(4-methylphenyl)diphenylmethyl]amino]-L-alanine |
| IUPAC Name | (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[[(4-methylphenyl)-diphenylmethyl]amino]propanoic acid |
| InChI | InChI=1S/C38H34N2O4/c1-26-20-22-29(23-21-26)38(27-12-4-2-5-13-27,28-14-6-3-7-15-28)39-24-35(36(41)42)40-37(43)44-25-34-32-18-10-8-16-30(32)31-17-9-11-19-33(31)34/h2-23,34-35,39H,24-25H2,1H3,(H,40,43)(H,41,42)/t35-/m0/s1 |
| InChI Key | WDZDBCVDBMWMAM-DHUJRADRSA-N |
| MDL Number | MFCD02094097 |
| Molecular Formula | C38H34N2O4 |
| Molecular Weight | 582.6876 |
| SMILES | C1=CC=CC=2C3=CC=CC=C3C(C12)COC(=O)N[C@@H](CNC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=C(C=C1)C)C(=O)O |
| Synonyms | Fmoc-Dap(Mtt)-OH,
654670-89-0,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-N-beta-(p-methyltrityl)-L-2,3-diaminopropionic acid,
C38H34N2O4,
Fmoc-(N-beta-4-methyltrityl)-L-alpha,beta-diaminopropionic acid,
KS-00000HZJ,
7493AE,
MFCD02094097,
AKOS025289402,
ZINC100234263,
AK170130,
FT-0696170,
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-[[(4-methylphenyl)diphenylmethyl]amino]-L-alanine,
(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-3-{[(4-methylphenyl)diphenylmethyl]amino}propanoic acid,
(S)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-((diphenyl(p-tolyl)methyl)amino)propanoic acid,
Fmoc-asn(trt)-ol,
|
| Complexity | 895 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 582.252g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 582.7g/mol |
| Monoisotopic Mass | 582.252g/mol |
| Rotatable Bond Count | 11 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number