chempirical

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine

C37H31NO4SCAS 103213-32-7585.72 g/mol

Open in Covalent MOL file
OOHSNHOO
Carboxylic acidSulfide

Properties

Molecular formula
C37H31NO4S
Molar mass
585.72 g/mol
Exact mass
585.1974 Da
Melting point
171–174 °C
logP
7.91Crippen estimate
Polar surface area
79.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
10
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
103213-32-7
SMILES
O=C(O)[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)N=C(O)OCC1c2ccccc2-c2ccccc21
InChIKey
KLBPUVPNPAJWHZ-UMSFTDKQSA-N
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

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Names and synonyms

5 names
  • L-Cysteine, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-
  • 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

Work with N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-S-(triphenylmethyl)-L-cysteine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-O-(triphenylmethyl)-L-serine111061-56-473 % similar 3-[(1,1-Dimethylethyl)dithio]-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-alanine73724-43-368 % similar Fmoc-L-phenylalanine35661-40-667 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-asparagine132388-59-167 % similar N2-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-(triphenylmethyl)-L-glutamine132327-80-165 % similar (2R)-3-Cyclopropyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid170642-29-264 % similar (αS)-α-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]cyclopropanepropanoic acid214750-76-264 % similar N-(9-Fluorenylmethoxycarbonyl)-O-tert-butylserine71989-33-864 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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