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Valinomycin

CAT: 0926-AV28656-01Size: 0.05 gDry Ice: NoHazardous: No
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CAT#:0926-AV28656-01Size:0.05 g
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CAS Number
2001-95-8
Synonyms
Valinomycin;1Cyclo (D-a-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-a-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl-D-a-hydroxyisoval eryl-D-valyl-L-lactoyl-L-valyl) ; NSC 122023
MDL Number
MFCD00005114
Smiles
C (C) (C) [C@@H]1C (=O) N[C@H] (C (C) C) C (=O) O[C@@H] (C) C (=O) N[C@@H] ([C@H] (C) C) C (=O) O[C@H] (C (C) C) C (=O) N[C@H] (C (C) C) C (=O) O[C@@H] (C) C (=O) N[C@@H] ([C@@H] (C) C) C (=O) O[C@H] (C (C) C) C (=O) N[C@H] (C (C) C) C (=O) O[C@@H] (C) C (=O) N[C@@H] ([C@H] (C) C) C (=O) O1
Molecular Formula
C54H90N6O18
Molecular Weight
1,111.32 g/mol
Controlled
No

Chemical Information

Valinomycin

Valinomycin is a twelve-membered cyclodepsipeptide composed of three repeating D-alpha-hydroxyisovaleryl-D-valyl-L-lactoyl-L-valyl units joined in sequence. An antibiotic found in several Streptomyces strains. It has a role as an antiviral agent, an antimicrobial agent, a bacterial metabolite and a potassium ionophore. It is a cyclodepsipeptide and a macrocycle.

CAS Number2001-95-8
PubChem CID3000706
IUPAC Name(3S,6S,9R,12R,15S,18S,21R,24R,27S,30S,33R,36R)-6,18,30-trimethyl-3,9,12,15,21,24,27,33,36-nona(propan-2-yl)-1,7,13,19,25,31-hexaoxa-4,10,16,22,28,34-hexazacyclohexatriacontane-2,5,8,11,14,17,20,23,26,29,32,35-dodecone
Molecular FormulaC54H90N6O18
Molecular Weight1111.3
XLogP9.1
Topological Polar Surface Area332
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Heavy Atom Count78
Formal Charge0
Complexity1910
SMILES
C[C@H]1C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O[C@H](C(=O)N[C@H](C(=O)O[C@@H](C(=O)N[C@@H](C(=O)O1)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C54H90N6O18/c1-22(2)34-49(67)73-31(19)43(61)55-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)75-33(21)45(63)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-35(23(3)4)50(68)74-32(20)44(62)56-37(25(7)8)52(70)76-40(28(13)14)46(64)58-34/h22-42H,1-21H3,(H,55,61)(H,56,62)(H,57,63)(H,58,64)(H,59,65)(H,60,66)/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42+/m0/s1
InChIKey
FCFNRCROJUBPLU-DNDCDFAISA-N
Chemical Structure
2D Structure
2D structure of Valinomycin
CAS: 2001-95-8
CID: 3000706
Formula: C54H90N6O18
MW: 1111.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1111.3
XLogP39.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count18
Rotatable Bond Count9
Exact Mass1110.63116004
Monoisotopic Mass1110.63116004
Topological Polar Surface Area332 Ų
Heavy Atom Count78
Formal Charge0
Complexity1910
Isotope Atom Count0
Defined Atom Stereocenter Count12
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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