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Monamycin H2

CAT: 0013-GTR19255580-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255580-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Monamycin H2 is an ester peptide antibiotic that exhibits activity against Gram-positive bacteria.
CAS Number
31556-83-9
Field of Research
Infectious Disease & Virology
Smiles
O=C1OC (C (=O) N2NCC (Cl) CC2C (=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
C34H56ClN7O8
Molecular Weight
726.30
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

20-Butan-2-yl-28-chloro-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 Number31556-83-9
PubChem CID162989879
IUPAC Name20-butan-2-yl-28-chloro-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 FormulaC34H56ClN7O8
Molecular Weight726.3
XLogP3
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Heavy Atom Count50
Formal Charge0
Complexity1300
SMILES
CCC(C)C1C(=O)OC(C(=O)N2C(CC(CN2)Cl)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/C34H56ClN7O8/c1-9-20(7)27-34(49)50-28(18(4)5)33(48)42-25(12-21(35)14-36-42)32(47)41-26(13-22(43)15-37-41)30(45)39(8)24(10-17(2)3)31(46)40-16-19(6)11-23(40)29(44)38-27/h17-28,36-37,43H,9-16H2,1-8H3,(H,38,44)
InChIKey
JXRMWRJPUDCUTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 20-Butan-2-yl-28-chloro-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: 31556-83-9
CID: 162989879
Formula: C34H56ClN7O8
MW: 726.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight726.3
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count5
Exact Mass725.3878895
Monoisotopic Mass725.3878895
Topological Polar Surface Area181 Ų
Heavy Atom Count50
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count10
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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