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Monamycin D1

CAT: 0931-TN10762-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TN10762-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
28045-02-5
Target
Antibiotic, Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
Monamycin D1 is a lipopeptide antibiotic with activity against Gram-positive bacteria.
Smiles
O=C1N2[C@](C(=O)N[C@H](C(C)C)C(=O)O[C@@]([C@H](CC)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])[H])(C[C@@H](C)C2)[H]
Molecular Formula
C34H57N7O8
Molecular Weight
691.86
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R,6S,8S,11R,15R,17S,20R,23S)-23-[(2S)-butan-2-yl]-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-20-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 Number28045-02-5
PubChem CID102317656
IUPAC Name(1R,6S,8S,11R,15R,17S,20R,23S)-23-[(2S)-butan-2-yl]-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-20-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
CC[C@H](C)[C@H]1C(=O)N2[C@H](CCCN2)C(=O)N3[C@@H](C[C@@H](CN3)O)C(=O)N([C@@H](C(=O)N4C[C@@H](C[C@H]4C(=O)N[C@@H](C(=O)O1)C(C)C)C)CC(C)C)C
InChI
InChI=1S/C34H57N7O8/c1-9-21(7)28-33(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(19(4)5)34(48)49-28/h18-28,35-36,42H,9-17H2,1-8H3,(H,37,43)/t20-,21+,22+,23-,24+,25-,26+,27-,28+/m1/s1
InChIKey
LCPAGRQZIUUALQ-WVVGHYSUSA-N
Chemical Structure
2D Structure
2D structure of (1R,6S,8S,11R,15R,17S,20R,23S)-23-[(2S)-butan-2-yl]-6-hydroxy-10,15-dimethyl-11-(2-methylpropyl)-20-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: 28045-02-5
CID: 102317656
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 Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-N14079Monamycin G1
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