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Boc-Gln-Gln-OH

CAT: 0024-sc-293779ASize: 5 gDry Ice: NoHazardous: No
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CAT#:0024-sc-293779ASize:5 g
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CAS Number
250290-76-7

Chemical Information

Boc-gln-gln-OH
CAS Number250290-76-7
PubChem CID12012065
IUPAC Name(2S)-5-amino-2-[[(2S)-5-amino-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoyl]amino]-5-oxopentanoic acid
Molecular FormulaC15H26N4O7
Molecular Weight374.39
XLogP-1.7
Topological Polar Surface Area191
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count26
Formal Charge0
Complexity557
SMILES
CC(C)(C)OC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O
InChI
InChI=1S/C15H26N4O7/c1-15(2,3)26-14(25)19-8(4-6-10(16)20)12(22)18-9(13(23)24)5-7-11(17)21/h8-9H,4-7H2,1-3H3,(H2,16,20)(H2,17,21)(H,18,22)(H,19,25)(H,23,24)/t8-,9-/m0/s1
InChIKey
WQOCAMYLRIWQMA-IUCAKERBSA-N
Chemical Structure
2D Structure
2D structure of Boc-gln-gln-OH
CAS: 250290-76-7
CID: 12012065
Formula: C15H26N4O7
MW: 374.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.39
XLogP3-1.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass374.18014918
Monoisotopic Mass374.18014918
Topological Polar Surface Area191 Ų
Heavy Atom Count26
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
265063-01Boc-Gln-Gln-OH
A-1705.0100Boc-Gln-OH
OR1027586Boc-ß-Gln-OH
236282-01Boc-Gln-Gln-OH 98+% (TLC)
A-2490.0100Boc-Gln(Xan)-OH
A-1710.0025Boc-D-Gln-OH
CSB-DT2067Boc-Gln (Xan) -OH
A6701-1000Boc-β-homo-Gln-OH
264252-01Boc-gln (Trt) -OH
A-3170.0001Boc-Gln-Pro-OH

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