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Monamycin D1

CAT: 0013-GTR19256113-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19256113-02Size:50 mg
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Description
Monamycin D1 is a lipopeptide antibiotic with activity against Gram-positive bacteria.
CAS Number
28045-02-5
Field of Research
Infectious Disease & Virology
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
Storage Conditions
-20°C
Notes
For research use only.

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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