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Cypemycin

CAT: 0931-TN9861-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-TN9861-02Size:50 mg
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CAS Number
154277-21-1
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Cypemycin, a linaridin antibiotic, demonstrates the capability to inhibit cancer cell activity. It has an inhibitory IC50 of 1.3 μg/mL against P388 leukemia cells, while its inhibitory IC50 exceeds 25 μg/mL for human tumor cells such as HeLa S3, HHCC-1, HCCS-M, and Slex.
Smiles
C(N/C(/C(N[C@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CC=CC=C1)C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@H](C(N/C(/C(N[C@H](C(N[C@@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@H](C)C)C(=O)N/C=C\SC2)=O)[C@@H](CC)C)=O)=C/C)=O)CO)=O)=O)CCC(N)=O)=O)[C@@H](CC)C)=O)[C@H](C)C)=O)=O)CCC(N)=O)=O)C)=O)C(C)C)=O)=C/C)(=O)[C@H]3N(C(/C(/NC([C@@H](NC(=O)[C@H]4N(C(/C(/NC([C@@H](N(C)C)C)=O)=C\C)=O)CCC4)C)=O)=C\C)=O)CCC3
Molecular Formula
C99H154N24O24S
Molecular Weight
2096.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Cypemycin

Cypemycin is a polypeptide.

CAS Number154277-21-1
PubChem CID139586517
IUPAC NameN-[1-[[1-[[1-[[5-amino-1-[[2-[[3-hydroxy-1-[[(Z)-1-[[3-methyl-1-[[(2Z)-9-(2-methylpropyl)-5,8,11-trioxo-6-propan-2-yl-1-thia-4,7,10-triazacyclotridec-2-en-12-yl]amino]-1-oxopentan-2-yl]amino]-1-oxobut-2-en-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1,5-dioxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]-2-[2-[[2-[[(Z)-2-[[1-[(E)-2-[2-[[1-[(E)-2-[2-(dimethylamino)propanoylamino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]but-2-enoyl]pyrrolidine-2-carbonyl]amino]but-2-enoyl]amino]-3-methylbutanoyl]amino]propanoylamino]pentanediamide
Molecular FormulaC99H154N24O24S
Molecular Weight2096.5
XLogP2.1
Topological Polar Surface Area728
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count26
Rotatable Bond Count53
Heavy Atom Count148
Formal Charge0
Complexity4900
SMILES
CCC(C)C(C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CO)C(=O)N/C(=C\C)/C(=O)NC(C(C)CC)C(=O)NC1CS/C=C\NC(=O)C(NC(=O)C(NC1=O)CC(C)C)C(C)C)NC(=O)C(C(C)C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)/C(=C/C)/NC(=O)C3CCCN3C(=O)/C(=C\C)/NC(=O)C(C)NC(=O)C4CCCN4C(=O)/C(=C\C)/NC(=O)C(C)N(C)C
InChI
InChI=1S/C99H154N24O24S/c1-22-54(15)78(97(145)115-69-49-148-44-41-102-93(141)75(51(9)10)116-87(135)66(45-50(7)8)113-90(69)138)119-85(133)60(24-3)107-89(137)68(48-124)106-74(127)47-103-83(131)64(37-39-72(100)125)112-96(144)79(55(16)23-2)120-95(143)77(53(13)14)118-88(136)67(46-59-33-29-28-30-34-59)114-86(134)65(38-40-73(101)126)111-81(129)57(18)105-94(142)76(52(11)12)117-84(132)61(25-4)108-92(140)71-36-32-43-123(71)98(146)62(26-5)109-80(128)56(17)104-91(139)70-35-31-42-122(70)99(147)63(27-6)110-82(130)58(19)121(20)21/h24-30,33-34,41,44,50-58,64-71,75-79,124H,22-23,31-32,35-40,42-43,45-49H2,1-21H3,(H2,100,125)(H2,101,126)(H,102,141)(H,103,131)(H,104,139)(H,105,142)(H,106,127)(H,107,137)(H,108,140)(H,109,128)(H,110,130)(H,111,129)(H,112,144)(H,113,138)(H,114,134)(H,115,145)(H,116,135)(H,117,132)(H,118,136)(H,119,133)(H,120,143)/b44-41-,60-24-,61-25-,62-26+,63-27+
InChIKey
TYVRUMCYJWCOOO-RKEGDLLCSA-N
Chemical Structure
2D Structure
2D structure of Cypemycin
CAS: 154277-21-1
CID: 139586517
Formula: C99H154N24O24S
MW: 2096.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2096.5
XLogP32.1
Hydrogen Bond Donor Count22
Hydrogen Bond Acceptor Count26
Rotatable Bond Count53
Exact Mass2096.13220789
Monoisotopic Mass2095.12885305
Topological Polar Surface Area728 Ų
Heavy Atom Count148
Formal Charge0
Complexity4900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count18
Defined Bond Stereocenter Count5
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
GTR19255523-01Cypemycin
MBS1155741-01Recombinant Cypemycin (cypA)
MBS1249772-01Recombinant Streptomyces sp. Cypemycin decarboxylase (cypD)
MBS1097420-01Recombinant Streptomyces sp. Cypemycin methyltransferase (cypM)

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