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Hypelcin A-I

CAT: 0931-TN10434-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10434-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
93397-17-2
Target
Antibacterial, Antifungal
Related Pathways
Microbiology/Virology
Bioactivity
Hypelcin AI exhibits activity against Gram-negative bacteria and fungi.
Smiles
C(N[C@H](C(NC(C(NC(C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)CO)=O)CCC(N)=O)=O)CCC(N)=O)=O)(C)C)=O)(C)C)=O)[C@H](C)C)(=O)[C@H]1N(C(C(NC(C(NC(CNC(C(NC([C@@H](NC(C(NC([C@@H](NC(C(NC(C(NC([C@@H](NC(C(NC(=O)[C@H]2N(C(C(NC(C)=O)(C)C)=O)CCC2)(C)C)=O)C)=O)(C)C)=O)(C)C)=O)CCC(N)=O)=O)(C)C)=O)CC(C)C)=O)(C)C)=O)=O)(C)C)=O)(C)C)=O)CCC1
Molecular Formula
C89H153N23O24
Molecular Weight
1929.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hypelcin A-

Hypelcin A-I has been reported in Trichoderma peltatum with data available.

CAS Number93397-17-2
PubChem CID101290466
IUPAC Name(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[2-[[2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[2-[[(2S)-1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]amino]acetyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]pentanediamide
Molecular FormulaC89H153N23O24
Molecular Weight1929.3
XLogP-3.3
Topological Polar Surface Area714
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count24
Rotatable Bond Count52
Heavy Atom Count136
Formal Charge0
Complexity4470
SMILES
C[C@@H](C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)CO)NC(=O)C(C)(C)NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)NC(=O)C
InChI
InChI=1S/C89H153N23O24/c1-45(2)41-50(44-113)95-63(120)51(33-36-57(90)115)96-64(121)52(34-37-58(91)116)97-73(130)83(15,16)109-77(134)87(23,24)107-69(126)61(47(5)6)100-67(124)55-31-29-39-111(55)79(136)89(27,28)110-75(132)85(19,20)102-60(118)43-93-70(127)80(9,10)105-66(123)54(42-46(3)4)99-72(129)82(13,14)104-65(122)53(35-38-59(92)117)98-74(131)84(17,18)108-76(133)86(21,22)103-62(119)48(7)94-71(128)81(11,12)106-68(125)56-32-30-40-112(56)78(135)88(25,26)101-49(8)114/h45-48,50-56,61,113H,29-44H2,1-28H3,(H2,90,115)(H2,91,116)(H2,92,117)(H,93,127)(H,94,128)(H,95,120)(H,96,121)(H,97,130)(H,98,131)(H,99,129)(H,100,124)(H,101,114)(H,102,118)(H,103,119)(H,104,122)(H,105,123)(H,106,125)(H,107,126)(H,108,133)(H,109,134)(H,110,132)/t48-,50-,51-,52-,53-,54-,55-,56-,61-/m0/s1
InChIKey
KHUSJDWGFDJJCN-HGEPYVCOSA-N
Chemical Structure
2D Structure
2D structure of Hypelcin A-
CAS: 93397-17-2
CID: 101290466
Formula: C89H153N23O24
MW: 1929.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1929.3
XLogP3-3.3
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count24
Rotatable Bond Count52
Exact Mass1928.14588284
Monoisotopic Mass1928.14588284
Topological Polar Surface Area714 Ų
Heavy Atom Count136
Formal Charge0
Complexity4470
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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