Hexapeptide-3

CAT: 0931-T82205-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T82205-01Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1205679-02-2

Bioactivity

Hexapeptide-3 is a bioactive peptide known for its skin-repairing effects and is documented as a cosmetic ingredient [1].

Smiles

[C@H](C(N[C@H](C(N[C@@H](CCCNC(=N)N)C(N)=O)=O)CCCNC(=N)N)=O)(NC([C@@H](NC([C@@H](NC([C@H](CCC(O)=O)N)=O)CCC(O)=O)=O)CCSC)=O)CCC(N)=O

Molecular Formula

C32H58N14O11S

Molecular Weight

846.96

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Hexapeptide-3

CAS Number	1205679-02-2
PubChem CID	138480584
IUPAC Name	(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular Formula	C32H58N14O11S
Molecular Weight	847.0
XLogP	-8.9
Topological Polar Surface Area	486
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	31
Heavy Atom Count	58
Formal Charge	0
Complexity	1490

SMILES

CSCC[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C32H58N14O11S/c1-58-15-12-21(46-29(56)20(8-11-24(50)51)43-26(53)16(33)6-10-23(48)49)30(57)45-19(7-9-22(34)47)28(55)44-18(5-3-14-41-32(38)39)27(54)42-17(25(35)52)4-2-13-40-31(36)37/h16-21H,2-15,33H2,1H3,(H2,34,47)(H2,35,52)(H,42,54)(H,43,53)(H,44,55)(H,45,57)(H,46,56)(H,48,49)(H,50,51)(H4,36,37,40)(H4,38,39,41)/t16-,17-,18-,19-,20-,21-/m0/s1

InChIKey

RYBWAQANBURYGX-PXQJOHHUSA-N

Chemical Structure

2D Structure

CAS: 1205679-02-2

CID: 138480584

Formula: C32H58N14O11S

MW: 847.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	847.0
XLogP3	-8.9
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	31
Exact Mass	846.41301989
Monoisotopic Mass	846.41301989
Topological Polar Surface Area	486 Å²
Heavy Atom Count	58
Formal Charge	0
Complexity	1490
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS5823857	Hexapeptide-3
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MBS5823858	Hexapeptide-12
MBS5823855	Hexapeptide-42
GTR19034439-01	Hexapeptide-10
GTR19065845	Hexapeptide-1
MBS5823856	Hexapeptide-33
OR1030908	Hexapeptide 9

Hexapeptide-3

Chemical Information

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