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H-Val-Ala-pNA

CAT: 0121-4003920.0250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0121-4003920.0250Size:250 mg
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CAS Number
87810-63-7
Specifications
L-1845.0250
Sequence
H-Val-Ala-pNA
Molecular Formula
C₁₄H₂₀N₄O₄
Molecular Weight
308.34
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

H-Val-ala-pna
CAS Number87810-63-7
PubChem CID122173506
IUPAC Name(2S)-2-amino-N-[(2S)-1-amino-1-oxopropan-2-yl]-3-methyl-N-(4-nitrophenyl)butanamide
Molecular FormulaC14H20N4O4
Molecular Weight308.33
XLogP0.9
Topological Polar Surface Area135
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity427
SMILES
C[C@@H](C(=O)N)N(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)[C@H](C(C)C)N
InChI
InChI=1S/C14H20N4O4/c1-8(2)12(15)14(20)17(9(3)13(16)19)10-4-6-11(7-5-10)18(21)22/h4-9,12H,15H2,1-3H3,(H2,16,19)/t9-,12-/m0/s1
InChIKey
UZWBDKNAAOJWOX-CABZTGNLSA-N
Chemical Structure
2D Structure
2D structure of H-Val-ala-pna
CAS: 87810-63-7
CID: 122173506
Formula: C14H20N4O4
MW: 308.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.33
XLogP30.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass308.14845513
Monoisotopic Mass308.14845513
Topological Polar Surface Area135 Ų
Heavy Atom Count22
Formal Charge0
Complexity427
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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