N-(tert-Butoxycarbonyl)-S-trityl-L-cysteine

HCID 89557CAS 21947-98-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)(C)OC(=O)NC(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
InChIKey
JDTOWOURWBDELG-UHFFFAOYSA-N
Molecular formula
C27H29NO4S
Average molar mass
463.6 g/mol
Monoisotopic mass
463.18172958

Names & identifiers

Preferred name
N-(tert-Butoxycarbonyl)-S-trityl-L-cysteine
IUPAC
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoic acid
English name
N-Boc-S-Trityl-L-cysteine
Molecular formula
C27H29NO4S
Molecular weight
463.59

Names & synonyms

EINECS 244-674-6NSC 129903N-(tert-Butoxycarbonyl)-S-trityl-L-cysteineN-[tert-butoxycarbonyl]-S-trityl-L-cysteineRefChem:362937244-674-621947-98-8Boc-S-trityl-L-cysteine(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-tritylsulfanylpropanoic acidC27H29NO4SNSC129903N-alpha-t-Butyloxycarbonyl-S-trityl-L-cysteine
Show more names
BOC-L-CYS(TRT)-OHBoc-Cys(Trt)Boc-S-Trityl-Cys-OHBoc-Cys(Trt)-OH 97%BOC-CYSTEINE(TRT)-OHBoc-Cys(Trt)-OH, >=98%BOC-L-CYSTEINE(TRITYL)N-Boc-S-Trityl-L-Cys-OHBOC-L-TRITYL-L-CYSTEINE
CHEMBL409818SCHEMBL15309262-(tert-butoxycarbonylamino)-3-tritylsulfanyl-propanoic acidN-|A-t.-Boc-S-trityl-D-cysteineNSC-129903LS-15178PD196532(S)-2-(Tert-butoxycarbonylamino)-3-(tritylthio)propanoic acid

Database identifiers

CAS
21947-98-8
PubChem CID
89557
ChEMBL
CHEMBL409818
EC Number
244-674-6

Properties

Computed structural properties

XLogP
5.9
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
10
Heavy atoms
33

Physicochemical properties

Melting point
143 · 143-146 °C(lit.)
alpha
27.5 · 27.5 º (c=1, EtOH)
Boiling point
610.9 · 610.9±55.0 °C(Predicted)
Density
1.2 · 1.200±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
solubility
Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 75% (3 of 4) of all reports.

Warning

H315 (25%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (25%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (25%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 3 of 4 reports by companies.；There is 1 notification provided by 1 of 4 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (25%)；Eye Irrit. 2A (25%)；STOT SE 3 (25%)

Safety data

F
3-10
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
2930 90 16
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications

UsesBoc-Cys(Trt)-OH is used in method for preparing ularitide.

Upstream & downstream products

Suppliers50 total

北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海康朗生物科技有限公司021-61998208 18217752821 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
Hangzhou Go Top Peptide Biotech0571-88211921 · [email protected]

Related reactions

4 records
New reaction record

Linked notes

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