3-{[(3R,4R,5R)-3-{[(3-fluorophenyl)carbamoyl]amino}-4,5-dihydroxycyclohex-1-en-1-yl]formamido}propanamide
AlkaPlorer ID: AK152915
Synonym: None
IUPAC Name: (3R,4R,5R)-N-(3-amino-3-oxopropyl)-3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carboxamide
Structure
SMILES: NC(=O)CCNC(=O)C1=C[C@@H](NC(=O)NC2=CC=CC(F)=C2)[C@@H](O)[C@H](O)C1
InChI: InChI=1S/C17H21FN4O5/c18-10-2-1-3-11(8-10)21-17(27)22-12-6-9(7-13(23)15(12)25)16(26)20-5-4-14(19)24/h1-3,6,8,12-13,15,23,25H,4-5,7H2,(H2,19,24)(H,20,26)(H2,21,22,27)/t12-,13-,15-/m1/s1
InChIKey: QDLQLYXLSZGSTO-UMVBOHGHSA-N
Reference
New biologically active compounds from Kenyan propolis
PubChem CID: 11866346
SuperNatural Ⅲ: SN0302379-02
Source
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Properties Information
Molecule Weight: 380.3760000000001
TPSA？: 153.77999999999997
MolLogP？: -0.6406999999999996
Number of H-Donors: 6
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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