C-MYC PEPTIDE EPITOPE TFA

CAT: 0127-BUP20502-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP20502-01Size:5 mg

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CAS Number

71901-21-8

Purity

=98%

Smiles

CCCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)C(O)=O

Chemical Information

F-Chemotactic peptide

potent chemoattractant for human neutrophils

CAS Number	71901-21-8
PubChem CID	123875
IUPAC Name	(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-formamidohexanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid
Molecular Formula	C43H65N7O9
Molecular Weight	824.0
XLogP	2.8
Topological Polar Surface Area	258
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	28
Heavy Atom Count	59
Formal Charge	0
Complexity	1300

SMILES

CCCC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CCCCN)C(=O)O)NC=O

InChI

InChI=1S/C43H65N7O9/c1-5-7-16-32(45-27-51)38(53)48-35(24-28(3)4)40(55)50-36(25-29-14-10-9-11-15-29)41(56)46-33(17-8-6-2)39(54)49-37(26-30-19-21-31(52)22-20-30)42(57)47-34(43(58)59)18-12-13-23-44/h9-11,14-15,19-22,27-28,32-37,52H,5-8,12-13,16-18,23-26,44H2,1-4H3,(H,45,51)(H,46,56)(H,47,57)(H,48,53)(H,49,54)(H,50,55)(H,58,59)/t32-,33-,34-,35-,36-,37-/m0/s1

InChIKey

XZMLMTGOWVWIRV-DUGSHLAESA-N

Chemical Structure

2D Structure

CAS: 71901-21-8

CID: 123875

Formula: C43H65N7O9

MW: 824.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	824.0
XLogP3	2.8
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	28
Exact Mass	823.48437668
Monoisotopic Mass	823.48437668
Topological Polar Surface Area	258 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1300
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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C-MYC PEPTIDE EPITOPE TFA

Chemical Information

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