N-Fmoc-S-trityl-D-cysteine

C₃₇H₃₁NO₄SCAS 167015-11-4585.72 g/mol

Open in Covalent MOL file

Carbamate Carboxylic acid Sulfide

Properties

Molecular formula: C₃₇H₃₁NO₄S
Molar mass: 585.72 g/mol
Exact mass: 585.1974 Da
logP: 7.70Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 10
Stereocentres: Sin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

167015-11-4

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SC[C@H](C(=O)O)NC(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChIKey

KLBPUVPNPAJWHZ-UUWRZZSWSA-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-/m1/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Fmoc-D-cys(trt)-OH

Work with N-Fmoc-S-trityl-D-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-((9H-Fluoren-9-ylmethoxy)carbonyl)-S-(triphenylmethyl)-L-cysteine103213-32-7Enantiomer

Similar compounds

Fmoc-S-4-methoxytrityl-L-cysteine177582-21-786 % similar Fmoc-homocys(trt)-oh167015-23-881 % similar Fmoc-D-cys(tbu)-oh131766-22-876 % similar Fmoc-D-ser(trt)-oh212688-51-271 % similar Fmoc-S-methyl-L-cysteine138021-87-170 % similar Fmoc-S-benzyl-L-cysteine53298-33-270 % similar Fmoc-lys(boc-cys(trt))-oh587854-43-168 % similar Boc-S-trityl-D-cysteine87494-13-167 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook