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Mureidomycin D

CAT: 0013-GTR19255418-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255418-01Size:10 mg
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Description
Mureidomycin D is an antibiotic. Mureidomycin C exhibits activity against Pseudomonas aeruginosa.
CAS Number
114797-07-8
Field of Research
Infectious Disease & Virology
Smiles
O=C (O) C (NC (=O) NC (C (=O) NC (C (=O) NC=C1OC (N2C (=O) NC (=O) CC2) C (O) C1) C (N (C (=O) C (NC (=O) CN) CC=3C=CC=C (O) C3) C) C) CCSC) CC=4C=CC=C (O) C4
Molecular Formula
C40H53N9O13S
Molecular Weight
899.97
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mureidomycin D

Mureidomycin D is a peptide.

CAS Number114797-07-8
PubChem CID145720598
IUPAC Name2-[[(2S)-1-[[(2R)-3-[[(2S)-2-[(2-aminoacetyl)amino]-3-(3-hydroxyphenyl)propanoyl]-methylamino]-1-[[5-(2,4-dioxo-1,3-diazinan-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 FormulaC40H53N9O13S
Molecular Weight900.0
XLogP-3.4
Topological Polar Surface Area357
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Heavy Atom Count63
Formal Charge0
Complexity1690
SMILES
CC([C@H](C(=O)NC=C1CC(C(O1)N2CCC(=O)NC2=O)O)NC(=O)[C@H](CCSC)NC(=O)NC(CC3=CC(=CC=C3)O)C(=O)O)N(C)C(=O)[C@H](CC4=CC(=CC=C4)O)NC(=O)CN
InChI
InChI=1S/C40H53N9O13S/c1-21(48(2)36(57)28(43-32(54)19-41)16-22-6-4-8-24(50)14-22)33(35(56)42-20-26-18-30(52)37(62-26)49-12-10-31(53)46-40(49)61)47-34(55)27(11-13-63-3)44-39(60)45-29(38(58)59)17-23-7-5-9-25(51)15-23/h4-9,14-15,20-21,27-30,33,37,50-52H,10-13,16-19,41H2,1-3H3,(H,42,56)(H,43,54)(H,47,55)(H,58,59)(H2,44,45,60)(H,46,53,61)/t21?,27-,28-,29?,30?,33+,37?/m0/s1
InChIKey
HVIYMDRGURCMHG-JHYHWTEUSA-N
Chemical Structure
2D Structure
2D structure of Mureidomycin D
CAS: 114797-07-8
CID: 145720598
Formula: C40H53N9O13S
MW: 900.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight900.0
XLogP3-3.4
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count15
Rotatable Bond Count20
Exact Mass899.34835395
Monoisotopic Mass899.34835395
Topological Polar Surface Area357 Ų
Heavy Atom Count63
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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GTR18896374-01D-D-D-D-D peptide
GTR19036094-01(D-Arg1, D-Pro2, D-Phe7, D-His9) -Substance P
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GTR19068288-01[D-Arg1, D-Pro2, D-Phe7, D-His9]-Substance P

Alternative Products

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

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