methyl (2R)-2-{[(3R,4R,5R)-3-(3-fluorobenzamido)-4,5-dihydroxycyclohex-1-en-1-yl]formamido}-4-methylpentanoate
AlkaPlorer ID: AK154396
Synonym: None
IUPAC Name: methyl (2R)-2-[[(3R,4R,5R)-3-[(3-fluorobenzoyl)amino]-4,5-dihydroxycyclohexene-1-carbonyl]amino]-4-methylpentanoate
Structure
SMILES: COC(=O)[C@@H](CC(C)C)NC(=O)C1=C[C@@H](NC(=O)C2=CC=CC(F)=C2)[C@@H](O)[C@H](O)C1
InChI: InChI=1S/C21H27FN2O6/c1-11(2)7-16(21(29)30-3)24-20(28)13-9-15(18(26)17(25)10-13)23-19(27)12-5-4-6-14(22)8-12/h4-6,8-9,11,15-18,25-26H,7,10H2,1-3H3,(H,23,27)(H,24,28)/t15-,16-,17-,18-/m1/s1
InChIKey: GPDJNDCBFVIUOR-BRSBDYLESA-N
Reference
Aeruginosins, protease inhibitors from the cyanobacterium Microcystis aeruginosa
PubChem CID: 7049305
SuperNatural Ⅲ: SN0111673-01
Source
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Properties Information
Molecule Weight: 422.4530000000001
TPSA？: 124.96
MolLogP？: 0.6798999999999995
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 2
Activities Information
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