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Boc-Val-Cit-OH

CAT: 0607-BA2437-10000Size: 10 gDry Ice: NoHazardous: No
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CAT#:0607-BA2437-10000Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
870487-08-4
Form
A solid
Molecular Formula
C16H30N4O6
Molecular Weight
374.43
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Boc-Val-Cit-OH
CAS Number870487-08-4
PubChem CID59841868
IUPAC Name(2S)-5-(carbamoylamino)-2-[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]amino]pentanoic acid
Molecular FormulaC16H30N4O6
Molecular Weight374.43
XLogP0.7
Topological Polar Surface Area160
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count26
Formal Charge0
Complexity515
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCNC(=O)N)C(=O)O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H30N4O6/c1-9(2)11(20-15(25)26-16(3,4)5)12(21)19-10(13(22)23)7-6-8-18-14(17)24/h9-11H,6-8H2,1-5H3,(H,19,21)(H,20,25)(H,22,23)(H3,17,18,24)/t10-,11-/m0/s1
InChIKey
ZZLNUAVYYRBTOZ-QWRGUYRKSA-N
Chemical Structure
2D Structure
2D structure of Boc-Val-Cit-OH
CAS: 870487-08-4
CID: 59841868
Formula: C16H30N4O6
MW: 374.43
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.43
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass374.21653469
Monoisotopic Mass374.21653469
Topological Polar Surface Area160 Ų
Heavy Atom Count26
Formal Charge0
Complexity515
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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