Phleomycin
AlkaPlorer ID: AK013321
Synonym: None
IUPAC Name: 2-[2-[2-[[2-[[4-[[2-[[6-amino-2-[3-amino-1-[(2,3-diamino-3-oxopropyl)amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[(2R,3S,4S,5S,6S)-3-[(2S,3R,4R,5S)-4-carbamoyl-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxan-2-yl]oxy-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxy-2-methylpentanoyl]amino]-3-oxobutanoyl]amino]ethyl]-4,5-dihydro-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide
Structure
SMILES: CC(=O)C(N=C(O)C(C)C(O)C(C)N=C(O)C(N=C(O)C1=C(C)C(=N)NC(C(CC(=N)O)NCC(N)C(=N)O)=N1)C(O[C@@H]1O[C@@H](CO)[C@@H](O)[C@H](O)[C@]1(C)O[C@@H]1OC(CO)[C@H](O)[C@](O)(C(=N)O)[C@H]1O)C1=CN=CN1)C(O)=NCCC1=NC(C2=NC(C(=N)O)=CS2)CS1
InChI: InChI=1S/C51H75N17O21S2/c1-16-29(65-41(68-38(16)54)21(8-27(53)72)60-9-20(52)39(55)78)44(82)67-31(34(22-10-58-15-61-22)88-49-50(5,36(76)33(74)25(11-69)87-49)89-47-37(77)51(85,48(57)84)35(75)26(12-70)86-47)45(83)62-18(3)32(73)17(2)42(80)66-30(19(4)71)43(81)59-7-6-28-63-24(14-90-28)46-64-23(13-91-46)40(56)79/h10,13,15,17-18,20-21,24-26,30-37,47,49,60,69-70,73-77,85H,6-9,11-12,14,52H2,1-5H3,(H2,53,72)(H2,55,78)(H2,56,79)(H2,57,84)(H,58,61)(H,59,81)(H,62,83)(H,66,80)(H,67,82)(H2,54,65,68)/t17?,18?,20?,21?,24?,25-,26?,30?,31?,32?,33+,34?,35-,36-,37-,47-,49-,50-,51+/m0/s1
InChIKey: QRBLKGHRWFGINE-UGWAGOLRSA-N
Reference
THE CHEMISTRY OF BLEOMYCIN. IX
PubChem CID: 72511
CAS: 11006-33-0
LOTUS: LTS0165314
{NPAtlas: NPA020039
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces verticillus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1326.3930000000012
TPSA？: 667.0200000000002
MolLogP？: -2.48073000000001
Number of H-Donors: 25
Number of H-Acceptors: 30
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|