Cystobactamid 919-2
AlkaPlorer ID: AK323963
Synonym: None
IUPAC Name: 4-[[4-[[4-[[(2S,3R)-4-amino-3-methoxy-2-[[4-[(4-nitrobenzoyl)amino]benzoyl]amino]-4-oxobutanoyl]amino]benzoyl]amino]-2-hydroxy-3-propan-2-yloxybenzoyl]amino]-3-propan-2-yloxybenzoic acid
Structure
SMILES: CO[C@@H](C(N)=O)[C@H](NC(=O)C1=CC=C(NC(=O)C2=CC=C([N+](=O)[O-])C=C2)C=C1)C(=O)NC1=CC=C(C(=O)NC2=CC=C(C(=O)NC3=CC=C(C(=O)O)C=C3OC(C)C)C(O)=C2OC(C)C)C=C1
InChI: InChI=1S/C46H45N7O14/c1-23(2)66-35-22-28(46(61)62)12-20-33(35)50-44(59)32-19-21-34(38(37(32)54)67-24(3)4)51-42(57)25-6-15-30(16-7-25)49-45(60)36(39(65-5)40(47)55)52-43(58)26-8-13-29(14-9-26)48-41(56)27-10-17-31(18-11-27)53(63)64/h6-24,36,39,54H,1-5H3,(H2,47,55)(H,48,56)(H,49,60)(H,50,59)(H,51,57)(H,52,58)(H,61,62)/t36-,39+/m0/s1
InChIKey: HPDAHGRYYHSHHB-YFXFWNCGSA-N
Reference
Cystobactamids: Myxobacterial Topoisomerase Inhibitors Exhibiting Potent Antibacterial Activity
PubChem CID: 132524504
NPASS: NPC485842
{NPAtlas: NPA009873
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cystobacter sp. Cbv34 | Cystobacter | Archangiaceae | Myxococcales | Myxococcia | Myxococcota | None | Bacteria |
Properties Information
Molecule Weight: 919.901
TPSA？: 316.95000000000005
MolLogP？: 5.567300000000005
Number of H-Donors: 8
Number of H-Acceptors: 13
RingCount: 5