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Feglymycin

CAT: 0607-BA1582-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1582-1Size:1 mg
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CAS Number
209335-49-9
Molecular Formula
C95H97N13O30
Molecular Weight
1900.86
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

Feglymycin

Feglymycin is a polypeptide.

CAS Number209335-49-9
PubChem CID16198635
IUPAC Name2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-3-methylbutanoyl]amino]-2-(3,5-dihydroxyphenyl)acetyl]amino]-2-(4-hydroxyphenyl)acetyl]amino]-3-phenylpropanoyl]amino]butanedioic acid
Molecular FormulaC95H97N13O30
Molecular Weight1900.9
XLogP3.3
Topological Polar Surface Area733
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count31
Rotatable Bond Count40
Heavy Atom Count138
Formal Charge0
Complexity4020
SMILES
CC(C)C(C(=O)NC(C1=CC(=CC(=C1)O)O)C(=O)NC(C2=CC=C(C=C2)O)C(=O)NC(C3=CC(=CC(=C3)O)O)C(=O)NC(C4=CC=C(C=C4)O)C(=O)NC(C5=CC(=CC(=C5)O)O)C(=O)NC(C(C)C)C(=O)NC(C6=CC(=CC(=C6)O)O)C(=O)NC(C7=CC=C(C=C7)O)C(=O)NC(CC8=CC=CC=C8)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(C9=CC(=CC(=C9)O)O)NC(=O)C(C1=CC=C(C=C1)O)N
InChI
InChI=1S/C95H97N13O30/c1-43(2)73(99-90(132)78(50-27-59(113)37-60(114)28-50)101-84(126)72(96)46-10-18-55(109)19-11-46)85(127)106-81(53-33-65(119)40-66(120)34-53)93(135)103-77(49-16-24-58(112)25-17-49)89(131)108-82(54-35-67(121)41-68(122)36-54)94(136)104-76(48-14-22-57(111)23-15-48)88(130)107-79(51-29-61(115)38-62(116)30-51)91(133)100-74(44(3)4)86(128)105-80(52-31-63(117)39-64(118)32-52)92(134)102-75(47-12-20-56(110)21-13-47)87(129)97-69(26-45-8-6-5-7-9-45)83(125)98-70(95(137)138)42-71(123)124/h5-25,27-41,43-44,69-70,72-82,109-122H,26,42,96H2,1-4H3,(H,97,129)(H,98,125)(H,99,132)(H,100,133)(H,101,126)(H,102,134)(H,103,135)(H,104,136)(H,105,128)(H,106,127)(H,107,130)(H,108,131)(H,123,124)(H,137,138)
InChIKey
QJQKBRUTBCTBKE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Feglymycin
CAS: 209335-49-9
CID: 16198635
Formula: C95H97N13O30
MW: 1900.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1900.9
XLogP33.3
Hydrogen Bond Donor Count29
Hydrogen Bond Acceptor Count31
Rotatable Bond Count40
Exact Mass1900.6497836
Monoisotopic Mass1899.6464287
Topological Polar Surface Area733 Ų
Heavy Atom Count138
Formal Charge0
Complexity4020
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

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A23890-1Feglymycin 1mg

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