2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid

HCID 333433
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
61925-77-7
Standard SMILES
Cc1ccc(CSCC(NC(=O)OC(C)(C)C)C(=O)O)cc1
InChIKey
CUNVVZWSABRKAL-UHFFFAOYSA-N
Molecular formula
C16H23NO4S
Average molar mass
325.4 g/mol
Monoisotopic mass
325.13477939

Names & identifiers

Preferred name
2-[(Tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acid
IUPAC
3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
English name
Boc-D-Cys(MBZL)-OH
Molecular formula
C16H23NO4S
Molecular weight
325.42

Names & synonyms

Boc-S-(4-methylbenzyl)-L-cysteine2-[(tert-butoxycarbonyl)amino]-3-[(4-methylbenzyl)thio]propanoic acidBoc-L-Cys(pMeBzl)-OH3-[(4-methylphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acidBoc-beta-HoAsn-OH Boc-beta-homoasparagine2-[(tert-Butoxycarbonyl)amino]-3-[(4-methylbenzyl) thio]propanoic acidNSC334313Boc-L-beta-HomoAsn-OHBoc-Cys(4-CH3Bzl)-OHSCHEMBL8538273boc-s-4-methylbenzyl-l-cysteineDTXSID90977474
Show more names
Boc-D-Cys(MBZL)-OHBOC-D-CYS(4-CH3BZL)BOC-D-CYS(CH3BZL)-OHBOC-D-CYS(PMEBZL)-OHBOC-D-CYS(4-MBZL)-OHBOC-D-CYS(4-MEBZL)-OHBOC-D-CYSTEINE(MBZL)-OHBOC-S-4-METHYLBENZYL-CYSTEINE
ALBB-006765BLC-21292-(tert-butoxycarbonylamino)-3-(p-tolylmethylsulfanyl)propanoic acidAKOS005171653NSC-334313DB-022781DB-054025ST50411677

Database identifiers

CAS
61925-77-7、61925-78-8
PubChem CID
333433

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
101 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
22

Physicochemical properties

Boiling point
493.8 · 493.8±45.0 °C(Predicted)
Density
1.181 · 1.181±0.06 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
pka
3.57 · 3.57±0.10(Predicted)
CAS DataBase Reference
61925 · 61925-78-8(CAS DataBase Reference)
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
IRRITANT
Hazard statements
H302
Precautionary statements
P501-P270-P264-P301+P312+P330

Chemistry & industry

Applications

UsesBoc-D-Cys(4-Mbzl)-OH, is a cysteine derivative used in chemical synthesis and peptide chemistry.

Suppliers40 total

北京华美互利生物化工010-56205725 · [email protected]
江苏吉泰肽业科技有限公司051580855088 18762539991 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…