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Monamycin G1

CAT: 0013-GTR19255935-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255935-02Size:10 mg
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Description
Monamycin G1 is an ester-peptide antibiotic [esterpeptid]. It shows activity against Gram-positive bacteria.
CAS Number
31556-80-6
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) C) CC (C) C) C (C) C
Molecular Formula
C33H54ClN7O8
Molecular Weight
712.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

28-Chloro-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-20,23-di(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 Number31556-80-6
PubChem CID101249734
IUPAC Name28-chloro-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-20,23-di(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 FormulaC33H54ClN7O8
Molecular Weight712.3
XLogP2.7
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count49
Formal Charge0
Complexity1280
SMILES
CC1CC2C(=O)NC(C(=O)OC(C(=O)N3C(CC(CN3)Cl)C(=O)N4C(CC(CN4)O)C(=O)N(C(C(=O)N2C1)CC(C)C)C)C(C)C)C(C)C
InChI
InChI=1S/C33H54ClN7O8/c1-16(2)9-23-30(45)39-15-19(7)10-22(39)28(43)37-26(17(3)4)33(48)49-27(18(5)6)32(47)41-24(11-20(34)13-35-41)31(46)40-25(29(44)38(23)8)12-21(42)14-36-40/h16-27,35-36,42H,9-15H2,1-8H3,(H,37,43)
InChIKey
WROOLFCWVWLBLH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 28-Chloro-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-20,23-di(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: 31556-80-6
CID: 101249734
Formula: C33H54ClN7O8
MW: 712.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight712.3
XLogP32.7
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass711.3722394
Monoisotopic Mass711.3722394
Topological Polar Surface Area181 Ų
Heavy Atom Count49
Formal Charge0
Complexity1280
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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