Cyclo (Ile-Pro)

CAT: 0926-FC165819-01Size: 0.25 mgDry Ice: NoHazardous: No

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CAT#:0926-FC165819-01Size:0.25 mg

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CAS Number

57089-60-8

Smiles

O=C1N2[C@] (C (=O) N[C@]1 ([C@H] (CC) C) [H]) (CCC2) [H]

Molecular Formula

C11H18N2O2

Molecular Weight

210.27 g/mol

Controlled

Chemical Information

Cyclo(Ile-Pro)

Cyclo(isoleucyl-prolyl) has been reported in Bacillus cereus, Streptomyces olivaceus, and other organisms with data available.

CAS Number	57089-60-8
PubChem CID	13654640
IUPAC Name	(3S,8aS)-3-[(2S)-butan-2-yl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Molecular Formula	C11H18N2O2
Molecular Weight	210.27
XLogP	1.1
Topological Polar Surface Area	49.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	15
Formal Charge	0
Complexity	290

SMILES

CC[C@H](C)[C@H]1C(=O)N2CCC[C@H]2C(=O)N1

InChI

InChI=1S/C11H18N2O2/c1-3-7(2)9-11(15)13-6-4-5-8(13)10(14)12-9/h7-9H,3-6H2,1-2H3,(H,12,14)/t7-,8-,9-/m0/s1

InChIKey

ZDACRNZBFJOLTC-CIUDSAMLSA-N

Chemical Structure

2D Structure

CAS: 57089-60-8

CID: 13654640

Formula: C11H18N2O2

MW: 210.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	210.27
XLogP3	1.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	210.136827821
Monoisotopic Mass	210.136827821
Topological Polar Surface Area	49.4 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	290
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FH109026-01	Hymenistatin I Cyclo (-Pro-Pro-Tyr-Val-Pro-Leu-Ile-Ile)
FC109164-01	Cyclolinopeptide B Cyclo (-Pro-Pro-Phe-Phe-Val-Ile-Met-Leu-Ile)
RDA74117-01	Cyclo (Ile-Leu)
QDA82199-01	Cyclo (Ile-Ala)
EEA06843-01	Cyclo (Ile-Val)
FC108324-01	Cyclo (-Met-Pro)
SCA88975-01	Cyclo (Pro-Trp)
FC108325-01	Cyclo (-Pro-Val)
BCD-3245	Cyclo (Lys-Pro)
FC49481-01	Cyclo (-Phe-Pro)