Basic information
- CAS
9060-10-0- 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)NCCCCN=C(N)N)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
NBLHOLNNKJBEDC-XOGQCRKLSA-N- Molecular formula
- C55H84N20O21S2
- Average molar mass
- 1,425.5 g/mol
- Monoisotopic mass
- 1,424.55613212
Overview
bleomycin B2 has been reported in Streptomyces verticillus with data available.
Names & identifiers
- Preferred name
- Bleomycin B2
- 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)-5-[[(2S,3R)-1-[2-[4-[4-[4-(diaminomethylideneamino)butylcarbamoyl]-1,3-thiazol-2-yl]-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
- English name
- Bleomycin B2
- Molecular formula
- C55H84N20O21S2
- Molecular weight
- 1425.51
Names & synonyms
bleomycin B29060-10-0Phleomycin D2Dehydrophleomycin D1M62KK37O40DTXSID80872328N1-(4-((Aminoiminomethyl)amino)butyl)bleomycinamideBleomycinamide, N1-(4-((aminoiminomethyl)amino)butyl)-RefChem:917383DTXCID8011893CHEBI:28641((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)-5-(((2S,3R)-1-(2-(4-(4-(4-(diaminomethylideneamino)butylcarbamoyl)-1,3-thiazol-2-yl)-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
Show more names
BLEMOYCIN BZPhleomycin B2Zhengguanmycin B2
Properties
Computed structural properties
- XLogP
- -9.3
- Topological polar surface area
- 748 Ų
- Hydrogen bond donors
- 22
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 37
- Heavy atoms
- 98
- Formal charge
- 0
- Complexity
- 2,680
Physicochemical properties
- Density
- 1.1158 · 1.1158 (rough estimate)
- refractive index
- 1.67 · 1.6700 (estimate)
- FDA UNII
- 62 KK37O40 · M62KK37O40
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationChemical substances, produced by microorganisms, inhibiting or preventing the proliferation of neoplasms.
Applications
UsesBleomycin B2 is a derivative of Bleomycin (B595805),a glycopeptide antibiotic.
Suppliers3 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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