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H-Arg-4MßNA

CAT: 0127-BUP21911Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP21911Size:5 mg
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CAS Number
60285-94-1
Synonyms
H-Arg-4MbNA
MDL Number
MFCD00038393
Purity
=98%
Smiles
COc1cc(NC(=O)[C@@H](N)CCCNC(N)=N)cc2ccccc12

Chemical Information

H-Arg-4MbetaNA
CAS Number60285-94-1
PubChem CID16218937
IUPAC Name(2S)-2-amino-5-(diaminomethylideneamino)-N-(4-methoxynaphthalen-2-yl)pentanamide
Molecular FormulaC17H23N5O2
Molecular Weight329.4
XLogP0.6
Topological Polar Surface Area129
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Heavy Atom Count24
Formal Charge0
Complexity439
SMILES
COC1=CC(=CC2=CC=CC=C21)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C17H23N5O2/c1-24-15-10-12(9-11-5-2-3-6-13(11)15)22-16(23)14(18)7-4-8-21-17(19)20/h2-3,5-6,9-10,14H,4,7-8,18H2,1H3,(H,22,23)(H4,19,20,21)/t14-/m0/s1
InChIKey
XVHWVDFGKDNOBO-AWEZNQCLSA-N
Chemical Structure
2D Structure
2D structure of H-Arg-4MbetaNA
CAS: 60285-94-1
CID: 16218937
Formula: C17H23N5O2
MW: 329.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight329.4
XLogP30.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass329.18517499
Monoisotopic Mass329.18517499
Topological Polar Surface Area129 Ų
Heavy Atom Count24
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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