| CAS Number | 507472-09-5 |
| Catalog Number | AG00DFSX(AGN-PC-0OBECB) |
| Chemical Name | Fmoc-(S)-3-Amino-3-(3-thienyl)-propionic acid |
| IUPAC Name | (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid |
| InChI | InChI=1S/C22H19NO4S/c24-21(25)11-20(14-9-10-28-13-14)23-22(26)27-12-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-10,13,19-20H,11-12H2,(H,23,26)(H,24,25)/t20-/m0/s1 |
| InChI Key | FQLMDOMRTRHLFX-FQEVSTJZSA-N |
| MDL Number | MFCD03427989 |
| Molecular Formula | C22H19NO4S |
| Molecular Weight | 393.4556 |
| SMILES | O=C(O)C[C@H](NC(OCC1C2=C(C3=C1C=CC=C3)C=CC=C2)=O)C4=CSC=C4 |
| Synonyms | 507472-09-5,
Fmoc-(S)-3-Amino-3-(3-thienyl)-propionic acid,
(S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(thiophen-3-yl)propanoic acid,
AC1ODZNA,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-ylpropanoic acid,
ZINC2585880,
7012AB,
MFCD03427989,
ACM507472095,
AJ-43636,
BBV-38260229,
AX8130781,
TL80073942,
A-8911,
Fmoc-S-3-Amino-3-(3-thienyl)-propionic acid,
Fmoc-(S)-3-amino-3-(3-thienyl)propionic acid,
C22H19NO4S,
CID7023367,
FMOC- -3-AMINO-3- -PROPIONICACID,
(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-thiophen-3-yl-propanoic Acid,
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| Complexity | 549 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 393.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 393.457g/mol |
| Monoisotopic Mass | 393.103g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
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Certificate of Analysis
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