Bleomycin B1'
AlkaPlorer ID: AK116583
Synonym: None
IUPAC Name: [(2S,3R,4R,5R,6R)-2-[(2R,3R,4R,5S,6S)-2-[(1S,2S)-2-[[6-amino-2-[(1S)-3-amino-1-[[(2R)-2,3-diamino-3-oxopropyl]amino]-3-oxopropyl]-5-methylpyrimidine-4-carbonyl]amino]-3-[[(2S,3S,4R)-5-[[(2R,3S)-1-[2-[4-(4-carbamoyl-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
Structure
SMILES: CC1=C(C(O)=N[C@H](C(O)=N[C@@H](C)[C@@H](O)[C@@H](C)C(O)=N[C@@H](C(O)=NCCC2=NC(C3=NC(C(=N)O)=CS3)=CS2)[C@H](C)O)[C@H](O[C@@H]2O[C@@H](CO)[C@@H](O)[C@@H](O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](OC(=N)O)[C@H]2O)C2=CN=CN2)N=C([C@H](CC(=N)O)NC[C@@H](N)C(=N)O)NC1=N
InChI: InChI=1S/C50H73N17O21S2/c1-15-28(64-42(67-39(15)53)20(7-26(52)71)59-8-19(51)40(54)77)45(81)66-30(36(21-9-57-14-60-21)86-49-38(34(75)32(73)24(10-68)85-49)87-48-35(76)37(88-50(56)83)33(74)25(11-69)84-48)46(82)61-17(3)31(72)16(2)43(79)65-29(18(4)70)44(80)58-6-5-27-62-23(13-89-27)47-63-22(12-90-47)41(55)78/h9,12-14,16-20,24-25,29-38,48-49,59,68-70,72-76H,5-8,10-11,51H2,1-4H3,(H2,52,71)(H2,54,77)(H2,55,78)(H2,56,83)(H,57,60)(H,58,80)(H,61,82)(H,65,79)(H,66,81)(H2,53,64,67)/t16-,17+,18+,19-,20+,24+,25-,29-,30+,31+,32-,33-,34-,35-,36-,37-,38-,48+,49+/m1/s1
InChIKey: NYJRSYHHHBHHOR-NBANDJESSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces verticillus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1312.3660000000016
TPSA？: 659.7100000000002
MolLogP？: -2.3779299999999983
Number of H-Donors: 25
Number of H-Acceptors: 30
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|