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Acetyl tetrapeptide-5 50mg

CAT: 0628-A23428-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0628-A23428-50Size:50 mg
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CAS Number
820959-17-9

Chemical Information

Acetyl tetrapeptide-5

See also: Acetyl octapeptide-3; acetyl tetrapeptide-5 (component of).

CAS Number820959-17-9
PubChem CID11620163
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-(3-acetamidopropanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-imidazol-5-yl)propanoic acid
Molecular FormulaC20H28N8O7
Molecular Weight492.5
XLogP-3.2
Topological Polar Surface Area231
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Heavy Atom Count35
Formal Charge0
Complexity768
SMILES
CC(=O)NCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CN=CN2)C(=O)O
InChI
InChI=1S/C20H28N8O7/c1-11(30)23-3-2-17(31)26-14(4-12-6-21-9-24-12)18(32)28-16(8-29)19(33)27-15(20(34)35)5-13-7-22-10-25-13/h6-7,9-10,14-16,29H,2-5,8H2,1H3,(H,21,24)(H,22,25)(H,23,30)(H,26,31)(H,27,33)(H,28,32)(H,34,35)/t14-,15-,16-/m0/s1
InChIKey
ROTFCACGLKOUGI-JYJNAYRXSA-N
Chemical Structure
2D Structure
2D structure of Acetyl tetrapeptide-5
CAS: 820959-17-9
CID: 11620163
Formula: C20H28N8O7
MW: 492.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight492.5
XLogP3-3.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count9
Rotatable Bond Count14
Exact Mass492.20809526
Monoisotopic Mass492.20809526
Topological Polar Surface Area231 Ų
Heavy Atom Count35
Formal Charge0
Complexity768
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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