| CAS Number | 270262-98-1 |
| Catalog Number | AG00C3L3(AGN-PC-0O8H1K) |
| Chemical Name | Fmoc-(s)-3-amino-4-(2-thienyl)-butyric acid |
| IUPAC Name | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thiophen-2-ylbutanoic acid |
| InChI | InChI=1S/C23H21NO4S/c25-22(26)13-15(12-16-6-5-11-29-16)24-23(27)28-14-21-19-9-3-1-7-17(19)18-8-2-4-10-20(18)21/h1-11,15,21H,12-14H2,(H,24,27)(H,25,26)/t15-/m1/s1 |
| InChI Key | BESSJJJDKGERSD-OAHLLOKOSA-N |
| MDL Number | MFCD01861082 |
| Molecular Formula | C23H21NO4S |
| Molecular Weight | 407.4821 |
| SMILES | O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)CC4=CC=CS4 |
| Synonyms | 270262-98-1,
(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(thiophen-2-yl)butanoic acid,
AC1MC5IM,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thiophen-2-ylbutanoic acid,
ZINC2575668,
MFCD01861082,
CC-28561,
PS-12318,
RT-012757,
C-21853,
Fmoc-(S)-3-amino-4-(2-thienyl)butanoic acid, AldrichCPR,
(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-(thiophen-2-yl)butanoic acid,
(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(thiophen-2-yl)butanoic acid,
Fmoc-(S)-3-Amino-4-(2-thienyl)-butyric acid,
Fmoc-(2-thienyl)-D-beta-homoalanine,
CID2761684,
Fmoc-(R)-3-amino-4-(2-thienyl)butanoic acid,
Fmoc-(S)-3-amino-4-(2-thienyl)butanoic acid,
269726-90-1,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-thiophen-2-yl-butanoic Acid,
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| Complexity | 563 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 407.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 29 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 407.484g/mol |
| Monoisotopic Mass | 407.119g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H312-H332
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501
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UN Code
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Certificate of Analysis
Lot Number