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Peplomycin

CAT: 0931-T73662-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T73662-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
68247-85-8
Target
Others, Antibiotic
Related Pathways
Microbiology/Virology, Others
Bioactivity
Peplomycin (Bleomycin PEP; Pepleomycin), an analogue of Bleomycin, exhibits significant antitumor activity with reduced pulmonary toxicity. It induces apoptosis in the oral squamous carcinoma cell line SSCKN and causes pulmonary fibrosis in rats [1] [2] [3] [4].
Smiles
[C@H]([C@H](NC(=O)C1=NC([C@@H](NC[C@@H](C(N)=O)N)CC(N)=O)=NC(N)=C1C)C(N[C@@H]([C@H]([C@@H](C(N[C@H](C(NCCC2=NC(=CS2)C3=NC(C(NCCCN[C@@H](C)C4=CC=CC=C4)=O)=CS3)=O)[C@@H](C)O)=O)C)O)C)=O)(O[C@H]5[C@@H](O[C@@H]6[C@@H](O)[C@@H](OC(N)=O)[C@H](O)[C@@H](CO)O6)[C@@H](O)[C@H](O)[C@H](CO)O5)C7=CN=CN7
Molecular Formula
C61H88N18O21S2
Molecular Weight
1473.59
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Peplomycin

Peplomycin is a glycopeptide.

CAS Number68247-85-8
PubChem CID6852373
IUPAC Name[(2R,3S,4S,5R,6R)-2-[(2R,3S,4S,5S,6S)-2-[(1R,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2S)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2R,3S,4S)-3-hydroxy-5-[[(2S,3R)-3-hydroxy-1-oxo-1-[2-[4-[4-[3-[[(1S)-1-phenylethyl]amino]propylcarbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]butan-2-yl]amino]-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 FormulaC61H88N18O21S2
Molecular Weight1473.6
XLogP-6.7
Topological Polar Surface Area696
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count32
Rotatable Bond Count38
Heavy Atom Count102
Formal Charge0
Complexity2740
SMILES
CC1=C(N=C(N=C1N)[C@H](CC(=O)N)NC[C@@H](C(=O)N)N)C(=O)N[C@@H]([C@H](C2=CN=CN2)O[C@H]3[C@H]([C@H]([C@@H]([C@@H](O3)CO)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)OC(=O)N)O)C(=O)N[C@H](C)[C@H]([C@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCCC5=NC(=CS5)C6=NC(=CS6)C(=O)NCCCN[C@@H](C)C7=CC=CC=C7)O
InChI
InChI=1S/C61H88N18O21S2/c1-24-39(76-52(79-50(24)64)31(16-37(63)83)71-17-30(62)51(65)89)56(93)78-41(47(32-18-67-23-72-32)98-60-49(45(87)43(85)35(19-80)97-60)99-59-46(88)48(100-61(66)95)44(86)36(20-81)96-59)57(94)73-27(4)42(84)25(2)53(90)77-40(28(5)82)55(92)70-15-12-38-74-34(22-101-38)58-75-33(21-102-58)54(91)69-14-9-13-68-26(3)29-10-7-6-8-11-29/h6-8,10-11,18,21-23,25-28,30-31,35-36,40-49,59-60,68,71,80-82,84-88H,9,12-17,19-20,62H2,1-5H3,(H2,63,83)(H2,65,89)(H2,66,95)(H,67,72)(H,69,91)(H,70,92)(H,73,94)(H,77,90)(H,78,93)(H2,64,76,79)/t25-,26-,27+,28+,30-,31-,35-,36+,40-,41-,42-,43+,44+,45-,46-,47-,48-,49-,59+,60-/m0/s1
InChIKey
QIMGFXOHTOXMQP-GFAGFCTOSA-N
Chemical Structure
2D Structure
2D structure of Peplomycin
CAS: 68247-85-8
CID: 6852373
Formula: C61H88N18O21S2
MW: 1473.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1473.6
XLogP3-6.7
Hydrogen Bond Donor Count21
Hydrogen Bond Acceptor Count32
Rotatable Bond Count38
Exact Mass1472.58128424
Monoisotopic Mass1472.58128424
Topological Polar Surface Area696 Ų
Heavy Atom Count102
Formal Charge0
Complexity2740
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-106364Peplomycin
AP26837-01Peplomycin sulfate
HY-106364APeplomycin (sulfate)
019272Peplomycin Sulfate discontinued. See 257366

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