Zorbamycin B
AlkaPlorer ID: AK050132
Synonym: None
IUPAC Name: [2-[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-[[6-[[(2S)-1-[2-[4-[4-[(3-amino-3-iminopropyl)carbamoyl]-1,3-thiazol-2-yl]-1,3-thiazol-2-yl]ethylamino]-3-hydroxy-1-oxobutan-2-yl]amino]-1,4-dihydroxy-5-methyl-6-oxohexan-3-yl]amino]-1-(1H-imidazol-5-yl)-3-oxopropoxy]-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate
Structure
SMILES: CC1=C(C(O)=N[C@H](C(O)=NC(CCO)C(O)C(C)C(O)=N[C@H](C(O)=NCCC2=NC(C3=NC(C(O)=NCCC(=N)N)=CS3)=CS2)C(C)O)[C@@H](OC2OC(C)C(O)C(O)C2OC2OC(CO)C(O)C(OC(=N)O)C2O)C2=CN=CN2)N=C([C@H](CC(=N)O)NC[C@H](N)C(=N)O)NC1=N
InChI: InChI=1S/C54H81N19O21S2/c1-18-32(70-45(73-43(18)59)24(11-30(58)77)65-12-22(55)44(60)83)49(87)72-34(40(25-13-62-17-66-25)92-53-42(38(81)36(79)21(4)90-53)93-52-39(82)41(94-54(61)89)37(80)28(14-75)91-52)50(88)68-23(7-10-74)35(78)19(2)46(84)71-33(20(3)76)48(86)64-9-6-31-67-27(16-95-31)51-69-26(15-96-51)47(85)63-8-5-29(56)57/h13,15-17,19-24,28,33-42,52-53,65,74-76,78-82H,5-12,14,55H2,1-4H3,(H3,56,57)(H2,58,77)(H2,60,83)(H2,61,89)(H,62,66)(H,63,85)(H,64,86)(H,68,88)(H,71,84)(H,72,87)(H2,59,70,73)/t19?,20?,21?,22-,23?,24-,28?,33-,34-,35?,36?,37?,38?,39?,40-,41?,42?,52?,53?/m0/s1
InChIKey: MBXBZPPTVVAPCU-KGVKYHRPSA-N
Reference
ZORBAMYCIN AND RELATED ANTIBIOTICS
PubChem CID: 139588539
LOTUS: LTS0175816
{NPAtlas: NPA019536
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces bikiniensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1396.4880000000016
TPSA？: 698.0900000000001
MolLogP？: -2.240530000000001
Number of H-Donors: 26
Number of H-Acceptors: 31
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|