CPP9

CAT: 0926-CRB1001385-01Size: 0.5 mgDry Ice: NoHazardous: No

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CAT#:0926-CRB1001385-01Size:0.5 mg

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CAS Number

1831064-63-1

Synonyms

Cyclo (f (2-Nal) R (dR) R (dR) Q) ; Cyclo[f-[2-Nal]-R-r-R-r-Q]; Cylo-[f-[2-Nal]-Arg-D-Arg-Arg-D-Arg-Gln, Where lower case f denotes D-amino ac id, Where Nal is 3-Naphthyl alanine

Molecular Formula

C51H76N20O8

Molecular Weight

1,097.28 g/mol

Shipping Conditions

Cool Pack

Controlled

Chemical Information

Cpp9 (tfa)

CAS Number	1831064-63-1
PubChem CID	162654193
IUPAC Name	3-[(2S,5R,8S,11S,14R,17S,20R)-5-benzyl-11,14,17,20-tetrakis[3-(diaminomethylideneamino)propyl]-8-(naphthalen-2-ylmethyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]propanamide
Molecular Formula	C51H76N20O8
Molecular Weight	1097.3
XLogP	-3.3
Topological Polar Surface Area	504
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	23
Heavy Atom Count	79
Formal Charge	0
Complexity	2150

SMILES

C1=CC=C(C=C1)C[C@@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2)CCC(=O)N)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C51H76N20O8/c52-40(72)21-20-37-45(77)70-38(27-29-10-2-1-3-11-29)47(79)71-39(28-30-18-19-31-12-4-5-13-32(31)26-30)46(78)68-36(17-9-25-64-51(59)60)43(75)66-34(15-7-23-62-49(55)56)41(73)65-33(14-6-22-61-48(53)54)42(74)67-35(44(76)69-37)16-8-24-63-50(57)58/h1-5,10-13,18-19,26,33-39H,6-9,14-17,20-25,27-28H2,(H2,52,72)(H,65,73)(H,66,75)(H,67,74)(H,68,78)(H,69,76)(H,70,77)(H,71,79)(H4,53,54,61)(H4,55,56,62)(H4,57,58,63)(H4,59,60,64)/t33-,34+,35+,36-,37-,38+,39-/m0/s1

InChIKey

WVBOCYPQZGZLLP-KNEAGCMXSA-N

Chemical Structure

2D Structure

CAS: 1831064-63-1

CID: 162654193

Formula: C51H76N20O8

MW: 1097.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1097.3
XLogP3	-3.3
Hydrogen Bond Donor Count	16
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	23
Exact Mass	1096.61549946
Monoisotopic Mass	1096.61549946
Topological Polar Surface Area	504 Å²
Heavy Atom Count	79
Formal Charge	0
Complexity	2150
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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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Alternative Products

Catalog	Name
HY-P10644	CPP9
HY-P10644A-01	CPP9 (TFA)
CRB1001385-01	CPP9 - (Cell Penetrating Peptides - CPP)

CPP9

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