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S6-1

CAT: 1601-CCP1410-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP1410-02Size:5 mg
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Description
Peptide to S6-1
CAS Number
93674-74-9
Structure Composition
H-Arg-Arg-Leu-Ser-Ser-Leu-Arg-Ala-OH
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C39H75N17O11
Molecular Weight
958.14
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Arg-Arg-Leu-Ser-Ser-Leu-Arg-Ala
CAS Number93674-74-9
PubChem CID90478307
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]propanoic acid
Molecular FormulaC39H75N17O11
Molecular Weight958.1
XLogP-7.8
Topological Polar Surface Area501
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Heavy Atom Count67
Formal Charge0
Complexity1720
SMILES
C[C@@H](C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)N
InChI
InChI=1S/C39H75N17O11/c1-19(2)15-25(32(62)52-23(10-7-13-48-38(43)44)30(60)50-21(5)36(66)67)54-34(64)27(17-57)56-35(65)28(18-58)55-33(63)26(16-20(3)4)53-31(61)24(11-8-14-49-39(45)46)51-29(59)22(40)9-6-12-47-37(41)42/h19-28,57-58H,6-18,40H2,1-5H3,(H,50,60)(H,51,59)(H,52,62)(H,53,61)(H,54,64)(H,55,63)(H,56,65)(H,66,67)(H4,41,42,47)(H4,43,44,48)(H4,45,46,49)/t21-,22-,23-,24-,25-,26-,27-,28-/m0/s1
InChIKey
DFXBLVYBUIDYHO-VXBMVYAYSA-N
Chemical Structure
2D Structure
2D structure of Arg-Arg-Leu-Ser-Ser-Leu-Arg-Ala
CAS: 93674-74-9
CID: 90478307
Formula: C39H75N17O11
MW: 958.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight958.1
XLogP3-7.8
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count15
Rotatable Bond Count33
Exact Mass957.58319628
Monoisotopic Mass957.58319628
Topological Polar Surface Area501 Ų
Heavy Atom Count67
Formal Charge0
Complexity1720
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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