| CAS Number | 1007840-62-1 |
| Catalog Number | AG0002UU(AGN-PC-0WBO2L) |
| Chemical Name | D-Homocysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)- |
| IUPAC Name | (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-tritylsulfanylbutanoic acid |
| InChI | InChI=1S/C38H33NO4S/c40-36(41)35(39-37(42)43-26-34-32-22-12-10-20-30(32)31-21-11-13-23-33(31)34)24-25-44-38(27-14-4-1-5-15-27,28-16-6-2-7-17-28)29-18-8-3-9-19-29/h1-23,34-35H,24-26H2,(H,39,42)(H,40,41)/t35-/m1/s1 |
| InChI Key | FKBGJLDYRSFHBT-PGUFJCEWSA-N |
| MDL Number | MFCD05663440 |
| Molecular Formula | C38H33NO4S |
| Molecular Weight | 599.7379 |
| SMILES | O=C(O)[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CCSC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6 |
| Synonyms | 1007840-62-1,
Fmoc-D-Homocys(Trt)-OH,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-4-(tritylthio)butanoic acid,
(R)-2-(Fmoc-amino)-4-tritylsulfanyl-butyric acid,
Fmoc-S-trityl-D-homocysteine,
SCHEMBL10078354,
0268AA,
MFCD05663440,
ZINC71788153,
AKOS015910256,
A-7590,
I14-40710,
(S)-2-Amino-4-(tritylthio)butanoic acid, N-FMOC protected,
N-alpha-(9-Fluorenylmethyloxycarbonyl)-S-trityl-D-homocysteine,
D-Homocysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-,
(R)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)-amino)-4-(tritylthio)butanoic acid,
(2R)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[(triphenylmethyl)sulfanyl]butanoic acid,
C38H33NO4S,
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| Complexity | 856 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 599.213g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 599.745g/mol |
| Monoisotopic Mass | 599.213g/mol |
| Rotatable Bond Count | 12 |
| Topological Polar Surface Area | 101A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 8.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number