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Cystobactamid 919-2

AlkaPlorer ID: AK402217

Synonym: None

IUPAC Name: 4-[[4-[[4-[[(2S,3S)-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(N=C(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

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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

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InChIKey: HPDAHGRYYHSHHB-VQIIKMDRSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 919.901

TPSA？: 324.9200000000001

MolLogP？: 7.385270000000006

Number of H-Donors: 9

Number of H-Acceptors: 13

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 1.0 ug.mL-1 10.1021/acs.jmedchem.5b01698
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 3.4 ug.mL-1 10.1021/acs.jmedchem.5b01698

Metabolism Information