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H-Arg-βNA · HCl

CAT: 0121-4000556.0001Size: 1 gDry Ice: NoHazardous: No
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CAT#:0121-4000556.0001Size:1 g
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CAS Number
18905-73-2
Specifications
K-1080.0001
Sequence
H-Arg-βNA · HCl
Molecular Formula
C₁₆H₂₁N₅O · HCl
Molecular Weight
335.84
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

(S)-5-(Amidinoamino)-2-amino-N-2-naphthylvaleramide monohydrochloride
CAS Number18905-73-2
PubChem CID16218947
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-N-naphthalen-2-ylpentanamide;hydrochloride
Molecular FormulaC16H22ClN5O
Molecular Weight335.83
Topological Polar Surface Area120
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity394
SMILES
C1=CC=C2C=C(C=CC2=C1)NC(=O)[C@H](CCCN=C(N)N)N.Cl
InChI
InChI=1S/C16H21N5O.ClH/c17-14(6-3-9-20-16(18)19)15(22)21-13-8-7-11-4-1-2-5-12(11)10-13;/h1-2,4-5,7-8,10,14H,3,6,9,17H2,(H,21,22)(H4,18,19,20);1H/t14-;/m0./s1
InChIKey
WEVOXPYVEJEKIT-UQKRIMTDSA-N
Chemical Structure
2D Structure
2D structure of (S)-5-(Amidinoamino)-2-amino-N-2-naphthylvaleramide monohydrochloride
CAS: 18905-73-2
CID: 16218947
Formula: C16H22ClN5O
MW: 335.83
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight335.83
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass335.1512880
Monoisotopic Mass335.1512880
Topological Polar Surface Area120 Ų
Heavy Atom Count23
Formal Charge0
Complexity394
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes