Boc-Pen (Mob) -OH 10g

CAT: 0628-A23388-10000Size: 10000 mgDry Ice: NoHazardous: No

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CAT#:0628-A23388-10000Size:10000 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

120944-75-4

Chemical Information

Boc-S-4-methoxybenzyl-L-penicillamine

CAS Number	120944-75-4
PubChem CID	7018788
IUPAC Name	(2R)-3-[(4-methoxyphenyl)methylsulfanyl]-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
Molecular Formula	C18H27NO5S
Molecular Weight	369.5
XLogP	3.3
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	25
Formal Charge	0
Complexity	453

SMILES

CC(C)(C)OC(=O)N[C@H](C(=O)O)C(C)(C)SCC1=CC=C(C=C1)OC

InChI

InChI=1S/C18H27NO5S/c1-17(2,3)24-16(22)19-14(15(20)21)18(4,5)25-11-12-7-9-13(23-6)10-8-12/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m1/s1

InChIKey

NEUHEEDQLRFEIM-CQSZACIVSA-N

Chemical Structure

2D Structure

CAS: 120944-75-4

CID: 7018788

Formula: C18H27NO5S

MW: 369.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	369.5
XLogP3	3.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	369.16099414
Monoisotopic Mass	369.16099414
Topological Polar Surface Area	110 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	453
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
A-2900.0005	Boc-Pen(Mob)-OH
OR1031830-01	Boc-Pen (Mob) -OH
HY-W141814-01	Boc-D-Pen (Mob) -OH
MBS405178-01	Boc-D-Pen(Mob)-OH
A-1990.0025	Boc-Cys(Mob)-OH
A-2000.0005	Boc-Cys(Mob)-OSu
FB111219-01	Boc-Cys (Mob) -OSu
A-1995.0005	Boc-D-Cys(Mob)-OH
sc-293725A	Boc-D-Cys (Mob) -OH
FB111718-01	Boc-Cys (Mob) -Merrifield resin (100-200 mesh)