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Boc-Pro-Leu-Val-OMe

CAT: 0926-FB111224-01Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0926-FB111224-01Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
13650-75-4
MDL Number
MFCD00038816
Smiles
CC (C) C[C@@H] (C (=O) N[C@@H] (C (C) C) C (=O) OC) NC (=O) [C@@H]1CCCN1C (=O) OC (C) (C) C
Molecular Formula
C22H39N3O6
Molecular Weight
441.56 g/mol
Controlled
No

Chemical Information

Boc-Pro-Leu-Val-Ome
CAS Number13650-75-4
PubChem CID14215063
IUPAC Nametert-butyl (2S)-2-[[(2S)-1-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
Molecular FormulaC22H39N3O6
Molecular Weight441.6
XLogP1.6
Topological Polar Surface Area114
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count31
Formal Charge0
Complexity656
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C22H39N3O6/c1-13(2)12-15(18(26)24-17(14(3)4)20(28)30-8)23-19(27)16-10-9-11-25(16)21(29)31-22(5,6)7/h13-17H,9-12H2,1-8H3,(H,23,27)(H,24,26)/t15-,16-,17-/m0/s1
InChIKey
KJJKZHILDMSZOS-ULQDDVLXSA-N
Chemical Structure
2D Structure
2D structure of Boc-Pro-Leu-Val-Ome
CAS: 13650-75-4
CID: 14215063
Formula: C22H39N3O6
MW: 441.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight441.6
XLogP31.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass441.28388597
Monoisotopic Mass441.28388597
Topological Polar Surface Area114 Ų
Heavy Atom Count31
Formal Charge0
Complexity656
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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