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Monamycin D2

CAT: 0804-HY-N14077Size: 1 EachDry Ice: NoHazardous: No
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Description
Monamycin D2 is an ester peptide antibiotic. Monamycin D2 has activity against Gram-positive bacteria[1].
CAS Number
31556-79-3
UNSPSC
12352005
Target
Antibiotic; Bacterial
Related Pathways
Anti-infection
Field of Research
Infection
Smiles
O=C1OC(C(C)C)C(N2NCCCC2C(N3NCC(CC3C(N(C(CC(C)C)C(N4CC(CC4C(NC1C(CC)C)=O)C)=O)C)=O)O)=O)=O
Molecular Formula
C34H57N7O8
Molecular Weight
691.86
References & Citations
[1]K Bevan, et al. The monamycins, a new family of cyclodepsipeptide antibiotics. Experientia. 1970;26 (2) :122-3.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

20-Butan-2-yl-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-23-propan-2-yl-22-oxa-3,4,10,13,19,25,26-heptazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
CAS Number31556-79-3
PubChem CID163053689
IUPAC Name20-butan-2-yl-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-23-propan-2-yl-22-oxa-3,4,10,13,19,25,26-heptazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
Molecular FormulaC34H57N7O8
Molecular Weight691.9
XLogP2.7
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count49
Formal Charge0
Complexity1260
SMILES
CCC(C)C1C(=O)OC(C(=O)N2C(CCCN2)C(=O)N3C(CC(CN3)O)C(=O)N(C(C(=O)N4CC(CC4C(=O)N1)C)CC(C)C)C)C(C)C
InChI
InChI=1S/C34H57N7O8/c1-9-21(7)27-34(48)49-28(19(4)5)33(47)40-23(11-10-12-35-40)32(46)41-26(15-22(42)16-36-41)30(44)38(8)25(13-18(2)3)31(45)39-17-20(6)14-24(39)29(43)37-27/h18-28,35-36,42H,9-17H2,1-8H3,(H,37,43)
InChIKey
UHPSWFPNADWKFJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 20-Butan-2-yl-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-23-propan-2-yl-22-oxa-3,4,10,13,19,25,26-heptazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
CAS: 31556-79-3
CID: 163053689
Formula: C34H57N7O8
MW: 691.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight691.9
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass691.42686180
Monoisotopic Mass691.42686180
Topological Polar Surface Area181 Ų
Heavy Atom Count49
Formal Charge0
Complexity1260
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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