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Mureidomycin A

CAT: 0013-GTR19254979-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19254979-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mureidomycin A is an antibiotic with activity against Pseudomonas aeruginosa.
CAS Number
114797-04-5
Field of Research
Infectious Disease & Virology
Smiles
O=C1C=CN (C (=O) N1) C2OC (=CNC (=O) C (NC (=O) C (NC (=O) NC (C (=O) O) CC=3C=CC=C (O) C3) CCSC) C (N (C (=O) C (N) CC=4C=CC=C (O) C4) C) C) CC2O
Molecular Formula
C38H48N8O12S
Molecular Weight
840.899
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[[1-[[3-[[2-Amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
CAS Number114797-04-5
PubChem CID162850568
IUPAC Name2-[[1-[[3-[[2-amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
Molecular FormulaC38H48N8O12S
Molecular Weight840.9
XLogP-2.6
Topological Polar Surface Area328
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Heavy Atom Count59
Formal Charge0
Complexity1600
SMILES
CC(C(C(=O)NC=C1CC(C(O1)N2C=CC(=O)NC2=O)O)NC(=O)C(CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)C(CC4=CC(=CC=C4)O)N
InChI
InChI=1S/C38H48N8O12S/c1-20(45(2)34(53)26(39)16-21-6-4-8-23(47)14-21)31(33(52)40-19-25-18-29(49)35(58-25)46-12-10-30(50)43-38(46)57)44-32(51)27(11-13-59-3)41-37(56)42-28(36(54)55)17-22-7-5-9-24(48)15-22/h4-10,12,14-15,19-20,26-29,31,35,47-49H,11,13,16-18,39H2,1-3H3,(H,40,52)(H,44,51)(H,54,55)(H2,41,42,56)(H,43,50,57)
InChIKey
LLINEOOFHRQODR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[[1-[[3-[[2-Amino-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[5-(2,4-dioxopyrimidin-1-yl)-4-hydroxyoxolan-2-ylidene]methylamino]-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]carbamoylamino]-3-(3-hydroxyphenyl)propanoic acid
CAS: 114797-04-5
CID: 162850568
Formula: C38H48N8O12S
MW: 840.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight840.9
XLogP3-2.6
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count14
Rotatable Bond Count18
Exact Mass840.31124017
Monoisotopic Mass840.31124017
Topological Polar Surface Area328 Ų
Heavy Atom Count59
Formal Charge0
Complexity1600
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-N14779Mureidomycin A
TN10852-01Mureidomycin C
TN10081-01Mureidomycin B
HY-N14884Mureidomycin E
HY-N14883Mureidomycin D

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