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

C₃₇H₃₁NO₄SCAS 103213-32-7585.72 g/mol

Open in Covalent MOL file

Carboxylic acid Sulfide

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 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 10
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation57.1% of notifiers
H319 Causes serious eye irritation42.9% of notifiers
H332 Harmful if inhaled14.3% of notifiers
H335 May cause respiratory irritation57.1% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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

6 names

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Fmoc-S-trityl-D-cysteine167015-11-4Enantiomer

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 (2S)-3-Cyclopropyl-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)propanoic 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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