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Monamycin D2

CAT: 0931-TN11069-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN11069-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31556-79-3
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Monamycin D2 is a lipopeptide antibiotic that exhibits activity against Gram-positive bacteria.
Smiles
O=C1OC(C(=O)N2NCCCC2C(=O)N3NCC(O)CC3C(=O)N(C)C(C(=O)N4CC(C)CC4C(=O)NC1C(C)CC)CC(C)C)C(C)C
Molecular Formula
C34H57N7O8
Molecular Weight
691.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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