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Hypelcin A-IV

CAT: 0013-GTR19256067-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256067-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hypelcin A-IV exhibits activity against Gram-negative bacteria and fungi.
CAS Number
93397-15-0
Field of Research
Infectious Disease & Virology
Smiles
O=C (NC (C (=O) N1CCCC1C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NCC (=O) NC (C (=O) NC (C (=O) N2CCCC2C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NC (C (=O) NC (CO) CC (C) C) CCC (=O) N) CCC (=O) N) (C) C) (C) C) C (C) C) (C) C) (C) C) (C) C) C (C) CC) (C) C) CCC (=O) N) (C) C) (C) C) C) (C) C) (C) C) C
Molecular Formula
C89H153N23O24
Molecular Weight
1929.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ac-Aib-DL-Pro-Aib-DL-Ala-Aib-Aib-DL-Gln-Aib-DL-xiIle-Aib-Gly-Aib-Aib-DL-Pro-DL-Val-Aib-Aib-DL-Gln-DL-Gln-DL-Leu-ol
CAS Number93397-15-0
PubChem CID163051891
IUPAC Name2-[[2-[[2-[[2-[[2-[[1-[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[2-[[1-(2-acetamido-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]propanoylamino]-2-methylpropanoyl]amino]-2-methylpropanoyl]amino]-5-amino-5-oxopentanoyl]amino]-2-methylpropanoyl]amino]-3-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-(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
Complexity4480
SMILES
CCC(C)C(C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(C(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)C(C)(C)NC(=O)C(CCC(=O)N)NC(=O)C(C)(C)NC(=O)C(C)(C)NC(=O)C(C)NC(=O)C(C)(C)NC(=O)C2CCCN2C(=O)C(C)(C)NC(=O)C
InChI
InChI=1S/C89H153N23O24/c1-29-47(6)61(100-74(131)82(13,14)104-65(122)53(36-39-58(92)117)98-73(130)84(17,18)108-76(133)86(21,22)103-62(119)48(7)94-71(128)81(11,12)105-67(124)55-33-31-41-112(55)78(135)88(25,26)101-49(8)114)69(126)107-80(9,10)70(127)93-43-59(118)102-85(19,20)75(132)110-89(27,28)79(136)111-40-30-32-54(111)66(123)99-60(46(4)5)68(125)106-87(23,24)77(134)109-83(15,16)72(129)97-52(35-38-57(91)116)64(121)96-51(34-37-56(90)115)63(120)95-50(44-113)42-45(2)3/h45-48,50-55,60-61,113H,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,97,129)(H,98,130)(H,99,123)(H,100,131)(H,101,114)(H,102,118)(H,103,119)(H,104,122)(H,105,124)(H,106,125)(H,107,126)(H,108,133)(H,109,134)(H,110,132)
InChIKey
SLKNUWYCNCMUDU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ac-Aib-DL-Pro-Aib-DL-Ala-Aib-Aib-DL-Gln-Aib-DL-xiIle-Aib-Gly-Aib-Aib-DL-Pro-DL-Val-Aib-Aib-DL-Gln-DL-Gln-DL-Leu-ol
CAS: 93397-15-0
CID: 163051891
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
Complexity4480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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