Back to Search
N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-S-(Triphenylmethyl)-L-Cysteine
CAS: 103213-32-7 | C37H31NO4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
103213-32-7
Molecular Formula:
C37H31NO4S
Molecular Mass:
585.73 g/mol
Names and Synonyms:
N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-S-(Triphenylmethyl)-L-Cysteine
L-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine
3: PN: US20040265921 PAGE: 4 claimed protein
Fmoc-L-Cys(Trt)-OH
N-(((9H-Fluoren-9-yl)methoxy)carbonyl)-S-trityl-L-cysteine
(2R)-2-(9H-Fluoren-9-ylmethoxycarbonylamino)-3-tritylsulfanylpropanoic acid
Identifiers:
SMILES:
O=C(O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C37H31NO4S/c39-35(40)34(38-36(41)42-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-43-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,38,41)(H,39,40)/t34-/m0/s1
Key Properties
Melting Point
171-174 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 585.73 g/mol | CAS Common Chemistry |
| 585.7250000000003 g/mol | RDKit | |
| 585.197379472 g/mol | RDKit | |
| Canonical SMILES | O=C(OCC1C=2C=CC=CC2C=3C=CC=CC31)NC(C(=O)O)CSC(C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6 | CAS Common Chemistry |
| InChI | InChI=1S/C37H31NO4S/c39-35(40)34(38-36(41)42-24-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)25-43-37(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H,38,41)(H,39,40)/t34-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=KLBPUVPNPAJWHZ-UMSFTDKQSA-N | CAS Common Chemistry |
| Melting Point | 171-174 °C | CAS Common Chemistry |
| Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine | CAS Common Chemistry |
| Heavy Atom Count | 43 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 5 | RDKit |
| Topological Polar Surface Area | 79.12 Ų | RDKit |
| LogP | 7.9080000000000075 | RDKit |
| Molar Refractivity | 172.8265999999996 | RDKit |
