Boc-D-Cys (Mob) -OH

CAT: 0024-sc-293725Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293725Size:1 g

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CAS Number

58290-35-0

Chemical Information

N-[(1,1-Dimethylethoxy)carbonyl]-S-[(4-methoxyphenyl)methyl]-D-cysteine

CAS Number	58290-35-0
PubChem CID	6992555
IUPAC Name	(2S)-3-[(4-methoxyphenyl)methylsulfanyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular Formula	C16H23NO5S
Molecular Weight	341.4
XLogP	2.7
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	23
Formal Charge	0
Complexity	388

SMILES

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

InChI

InChI=1S/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)/t13-/m1/s1

InChIKey

VRTXRNJMNFVTOM-CYBMUJFWSA-N

Chemical Structure

2D Structure

CAS: 58290-35-0

CID: 6992555

Formula: C16H23NO5S

MW: 341.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	341.4
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	341.12969401
Monoisotopic Mass	341.12969401
Topological Polar Surface Area	110 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	388
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