Cyclo (Phe-Phe)

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CAS Number

2862-51-3

MDL Number

MFCD00190985

Purity

95%

Smiles

O=C1[C@H] (CC2=CC=CC=C2) NC ([C@H] (CC3=CC=CC=C3) N1) =O

Chemical Information

Cyclo(phenylalanylphenylalanine)

Cyclo(L-phenylalanyl-L-phenylalanyl) is a member of the class of 2,5-diketopiperazines that is piperazine-2,5-dione in which one hydrogen at position 3 and one hydrogen at position 6 are replaced by benzyl groups (the 3S,6S-diastereomer).

CAS Number	2862-51-3
PubChem CID	76116
IUPAC Name	(3S,6S)-3,6-dibenzylpiperazine-2,5-dione
Molecular Formula	C18H18N2O2
Molecular Weight	294.3
XLogP	2.7
Topological Polar Surface Area	58.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Heavy Atom Count	22
Formal Charge	0
Complexity	360

SMILES

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

InChI

InChI=1S/C18H18N2O2/c21-17-15(11-13-7-3-1-4-8-13)19-18(22)16(20-17)12-14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,19,22)(H,20,21)/t15-,16-/m0/s1

InChIKey

JUAPMRSLDANLAS-HOTGVXAUSA-N

Chemical Structure

2D Structure

CAS: 2862-51-3

CID: 76116

Formula: C18H18N2O2

MW: 294.3

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	294.3
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	4
Exact Mass	294.136827821
Monoisotopic Mass	294.136827821
Topological Polar Surface Area	58.2 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	360
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
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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G-1765.0005	Cyclo(-Phe-Phe)
4002860.0005	Cyclo (-Phe-Phe)
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269750-01	Cyclo (L-Phe-L-Phe)
4025585.0250	Cyclo (-Leu-Phe)
4006752.1000	Cyclo (-His-Phe)
G-4385.0250	Cyclo(-Leu-Phe)
G-1770.0005	Cyclo(-Phe-Ser)
4028308.0005	Cyclo (-Gly-Phe)
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Cyclo (Phe-Phe)

Chemical Information

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