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PAB-Val-Lys-Boc

CAT: 0607-BA2610-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0607-BA2610-100Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1432969-86-2
Form
A solid
Molecular Formula
C23H38N4O5
Molecular Weight
450.57
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Val-Lys(Boc)-PAB
CAS Number1432969-86-2
PubChem CID117841397
IUPAC Nametert-butyl N-[(5S)-5-[[(2S)-2-amino-3-methylbutanoyl]amino]-6-[4-(hydroxymethyl)anilino]-6-oxohexyl]carbamate
Molecular FormulaC23H38N4O5
Molecular Weight450.6
XLogP1.8
Topological Polar Surface Area143
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count32
Formal Charge0
Complexity598
SMILES
CC(C)[C@@H](C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NC1=CC=C(C=C1)CO)N
InChI
InChI=1S/C23H38N4O5/c1-15(2)19(24)21(30)27-18(8-6-7-13-25-22(31)32-23(3,4)5)20(29)26-17-11-9-16(14-28)10-12-17/h9-12,15,18-19,28H,6-8,13-14,24H2,1-5H3,(H,25,31)(H,26,29)(H,27,30)/t18-,19-/m0/s1
InChIKey
BPDGVDDLTIMMLY-OALUTQOASA-N
Chemical Structure
2D Structure
2D structure of Val-Lys(Boc)-PAB
CAS: 1432969-86-2
CID: 117841397
Formula: C23H38N4O5
MW: 450.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight450.6
XLogP31.8
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass450.28422033
Monoisotopic Mass450.28422033
Topological Polar Surface Area143 Ų
Heavy Atom Count32
Formal Charge0
Complexity598
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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