Boc-Cys (Bzl) -OH

CAT: 0127-OR1012483-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1012483-01Size:25 g

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CAS Number

5068-28-0

MDL Number

MFCD00065567

Purity

98%

Smiles

[H][C@@](CSCC1=CC=CC=C1)(NC(=O)OC(C)(C)C)C(O)=O

Chemical Information

N-tert-Butoxycarbonyl-S-benzyl-L-cysteine

CAS Number	5068-28-0
PubChem CID	2724757
IUPAC Name	(2R)-3-benzylsulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C15H21NO4S
Molecular Weight	311.4
XLogP	2.7
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	21
Formal Charge	0
Complexity	348

SMILES

CC(C)(C)OC(=O)N[C@@H](CSCC1=CC=CC=C1)C(=O)O

InChI

InChI=1S/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)/t12-/m0/s1

InChIKey

IFVORPLRHYROAA-LBPRGKRZSA-N

Chemical Structure

2D Structure

CAS: 5068-28-0

CID: 2724757

Formula: C15H21NO4S

MW: 311.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	311.4
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	311.11912932
Monoisotopic Mass	311.11912932
Topological Polar Surface Area	101 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	348
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