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Monamycin B

CAT: 0013-GTR19255345-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19255345-01Size:10 mg
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Description
Monamycin B is an ester peptide antibiotic with activity against Gram-positive bacteria.
CAS Number
31556-75-9
Field of Research
Infectious Disease & Virology
Smiles
O=C1N2[C@] (C (=O) N[C@H] ([C@@H] (C) C) C (=O) O[C@@H] (C (C) C) C (=O) N3[C@@] (C (=O) N4[C@] (C (=O) N (C) [C@@H]1CC (C) C) (C[C@H] (O) CN4) [H]) (CCCN3) [H]) (C[C@@H] (C) C2) [H]
Molecular Formula
C33H55N7O8
Molecular Weight
677.83
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(1R,6S,8S,11R,15R,17S,20R,23S)-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 Number31556-75-9
PubChem CID102276565
IUPAC Name(1R,6S,8S,11R,15R,17S,20R,23S)-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 FormulaC33H55N7O8
Molecular Weight677.8
XLogP2.4
Topological Polar Surface Area181
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count48
Formal Charge0
Complexity1240
SMILES
C[C@@H]1C[C@H]2C(=O)N[C@@H](C(=O)O[C@H](C(=O)N3[C@H](CCCN3)C(=O)N4[C@@H](C[C@@H](CN4)O)C(=O)N([C@@H](C(=O)N2C1)CC(C)C)C)C(C)C)C(C)C
InChI
InChI=1S/C33H55N7O8/c1-17(2)12-24-30(44)38-16-20(7)13-23(38)28(42)36-26(18(3)4)33(47)48-27(19(5)6)32(46)39-22(10-9-11-34-39)31(45)40-25(29(43)37(24)8)14-21(41)15-35-40/h17-27,34-35,41H,9-16H2,1-8H3,(H,36,42)/t20-,21+,22-,23+,24-,25+,26-,27+/m1/s1
InChIKey
VUXYUUXUPQQCIM-FRAHHUFISA-N
Chemical Structure
2D Structure
2D structure of (1R,6S,8S,11R,15R,17S,20R,23S)-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: 31556-75-9
CID: 102276565
Formula: C33H55N7O8
MW: 677.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight677.8
XLogP32.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass677.41121174
Monoisotopic Mass677.41121174
Topological Polar Surface Area181 Ų
Heavy Atom Count48
Formal Charge0
Complexity1240
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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