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Phleomycin G

CAT: 0013-GTR19266151-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19266151-02Size:10 mg
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Description
Phleomycin G is a complex peptide antibiotic with effectiveness against Gram-positive bacteria, Gram-negative bacteria, and mycobacteria. It extends the survival time of mice with transplanted Ehrlich ascites carcinoma and exhibits inhibitory effects on solid lung tumors in mice.
CAS Number
11031-15-5
Field of Research
Infectious Disease & Virology
Smiles
O=C (OC1C (O) C (OC (CO) C1O) OC2C (OC (C3=CN=CN3) C (NC (=O) C4=NC (=NC (N) =C4C) C (NCC (N) C (=O) N) CC (=O) N) C (=O) NC (C) C (O) C (C (=O) NC (C (=O) NCCC5=NC (C6=NC (=CS6) C (=O) NCCCCNC (=N) NCCCCNC (=N) NCCCCNC (=N) N) CS5) C (O) C) C) OC (CO) C (O) C2O) N
Molecular Formula
C65H108N26O21S2
Molecular Weight
1653.84
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phleomycin G
CAS Number11031-15-5
PubChem CID3037885
IUPAC Name[2-[2-[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[5-[[1-[2-[4-[4-[4-[[N'-[4-[[N'-[4-(diaminomethylideneamino)butyl]carbamimidoyl]amino]butyl]carbamimidoyl]amino]butylcarbamoyl]-1,3-thiazol-2-yl]-4,5-dihydro-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-4-methyl-5-oxopentan-2-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Molecular FormulaC65H108N26O21S2
Molecular Weight1653.9
XLogP-11.1
Topological Polar Surface Area845
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count34
Rotatable Bond Count49
Heavy Atom Count114
Formal Charge0
Complexity3220
SMILES
CC1=C(N=C(N=C1N)C(CC(=O)N)NCC(C(=O)N)N)C(=O)NC(C(C2=CN=CN2)OC3C(C(C(C(O3)CO)O)O)OC4C(C(C(C(O4)CO)O)OC(=O)N)O)C(=O)NC(C)C(C(C)C(=O)NC(C(C)O)C(=O)NCCC5=NC(CS5)C6=NC(=CS6)C(=O)NCCCCNC(=NCCCCNC(=NCCCCN=C(N)N)N)N)O
InChI
InChI=1S/C65H108N26O21S2/c1-27-40(88-53(91-51(27)68)32(19-38(67)95)83-20-31(66)52(69)101)57(105)90-42(48(33-21-75-26-84-33)110-61-50(46(99)44(97)36(22-92)109-61)111-60-47(100)49(112-65(74)107)45(98)37(23-93)108-60)58(106)85-29(3)43(96)28(2)54(102)89-41(30(4)94)56(104)77-18-11-39-86-35(25-113-39)59-87-34(24-114-59)55(103)76-12-5-7-14-79-63(72)81-16-9-10-17-82-64(73)80-15-8-6-13-78-62(70)71/h21,24,26,28-32,35-37,41-50,60-61,83,92-94,96-100H,5-20,22-23,25,66H2,1-4H3,(H2,67,95)(H2,69,101)(H2,74,107)(H,75,84)(H,76,103)(H,77,104)(H,85,106)(H,89,102)(H,90,105)(H2,68,88,91)(H4,70,71,78)(H3,72,79,81)(H3,73,80,82)
InChIKey
JDNKEWBGOHYIEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phleomycin G
CAS: 11031-15-5
CID: 3037885
Formula: C65H108N26O21S2
MW: 1653.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1653.9
XLogP3-11.1
Hydrogen Bond Donor Count26
Hydrogen Bond Acceptor Count34
Rotatable Bond Count49
Exact Mass1652.76237691
Monoisotopic Mass1652.76237691
Topological Polar Surface Area845 Ų
Heavy Atom Count114
Formal Charge0
Complexity3220
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count20
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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