4-{[(3R,4R,5R)-3-{[(3-fluorophenyl)carbamoyl]amino}-4,5-dihydroxycyclohex-1-en-1-yl]formamido}butanamide
AlkaPlorer ID: AK559546
Synonym: None
IUPAC Name: (3R,4R,5R)-N-(4-amino-4-oxobutyl)-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide
Structure
SMILES: NC(=O)CCCNC(=O)C1=C[C@@H](NC(=O)NC2=CC=CC(F)=C2)[C@@H](O)[C@H](O)C1
InChI: InChI=1S/C18H23FN4O5/c19-11-3-1-4-12(9-11)22-18(28)23-13-7-10(8-14(24)16(13)26)17(27)21-6-2-5-15(20)25/h1,3-4,7,9,13-14,16,24,26H,2,5-6,8H2,(H2,20,25)(H,21,27)(H2,22,23,28)/t13-,14-,16-/m1/s1
InChIKey: WKQAAEVSCBYNBL-IIAWOOMASA-N
Source
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Properties Information
Molecule Weight: 394.4030000000001
TPSA？: 153.77999999999997
MolLogP？: -0.2506000000000007
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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