Boc-Gln-OSu

CAT: 0024-sc-227467ASize: 25 gDry Ice: NoHazardous: No

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CAT#:0024-sc-227467ASize:25 g

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

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CAS Number

18800-78-7

Chemical Information

Boc-Gln-OSu

CAS Number	18800-78-7
PubChem CID	16211303
IUPAC Name	(2,5-dioxopyrrolidin-1-yl) (2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate
Molecular Formula	C14H21N3O7
Molecular Weight	343.33
XLogP	-0.8
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	24
Formal Charge	0
Complexity	537

SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C14H21N3O7/c1-14(2,3)23-13(22)16-8(4-5-9(15)18)12(21)24-17-10(19)6-7-11(17)20/h8H,4-7H2,1-3H3,(H2,15,18)(H,16,22)/t8-/m0/s1

InChIKey

WWXJEZQDOXUDOV-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 18800-78-7

CID: 16211303

Formula: C14H21N3O7

MW: 343.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	343.33
XLogP3	-0.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	343.13795002
Monoisotopic Mass	343.13795002
Topological Polar Surface Area	145 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	537
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