Basic information
- CAS
68247-85-8- Standard SMILES
Cc1c(N)nc([C@H](CC(N)=O)NC[C@H](N)C(N)=O)nc1C(=O)N[C@H](C(=O)N[C@H](C)[C@@H](O)[C@H](C)C(=O)N[C@H](C(=O)NCCc1nc(-c2nc(C(=O)NCCCN[C@@H](C)c3ccccc3)cs2)cs1)[C@@H](C)O)[C@@H](O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@@H]1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](OC(N)=O)[C@@H]1O)c1cnc[nH]1- InChIKey
QIMGFXOHTOXMQP-GFAGFCTOSA-N- Molecular formula
- C61H88N18O21S2
- Average molar mass
- 1,473.6 g/mol
- Monoisotopic mass
- 1,472.58128384
Overview
Peplomycin is a glycopeptide.
Names & identifiers
- Preferred name
- Peplomycin
- IUPAC
- [(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
- English name
- PEPLOMYCIN
- Molecular formula
- C61H88N18O21S2
- Molecular weight
- 1473.59
Names & synonyms
PEPLOMYCINPepleomycin68247-85-8PeplomycinePeplomycinumpeplomicina56H9L80NIZDTXSID701024414Bleomycinamide, N1-(3-((1-phenylethyl)amino)propyl)-, (S)-RefChem:171538DTXCID401508639(S)-n1-(3-((1-phenylethyl)amino)propyl)bleomycinamide
Show more names
PLMFxyd1PeplocinPepleocineNK-631{PEPPepreomycinPEP-Bleomycin
n1-(3(((S)-alpha-methylbenzyl)amino)propyl)bleomycinamide269-484-0NSC276382Peplomycin [INN]Bleomycin PEPPeplomycin (INN)PeplomycinaPeplomycine [INN-French]
Database identifiers
- CAS
68247-85-8- PubChem CID
Properties
Computed structural properties
- XLogP
- -6.7
- Topological polar surface area
- 696 Ų
- Hydrogen bond donors
- 21
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 38
- Heavy atoms
- 102
- Formal charge
- 0
- Complexity
- 2,740
Physicochemical properties
- Density
- 1.0908 · 1.0908 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- storage temp.
- -20 °C · -20°C
- form
- buffered aqueous solution
- pka
- 10.843 · 10.843±0.46(predicted)
- biological source
- mouse
- FDA UNII
- 56 H9L80NIZ · 56H9L80NIZ
- NCI Drug Dictionary
- peplomycin
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 41 · NA.41
- Storage Class
- 10 · 10 - Combustible liquids
Safety & regulation
Safety data
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Applications
UsesAntineoplastic.
Upstream & downstream products
Upstream raw materials
Suppliers4 total
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Dideu Industries Group Limited+8617392712697 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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