4-Amino-3-[[3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carbonyl]amino]-4-oxobutanoic acid
AlkaPlorer ID: AK438372
Synonym: None
IUPAC Name: 4-amino-3-[[3-[(3-fluorophenyl)carbamoylamino]-4,5-dihydroxycyclohexene-1-carbonyl]amino]-4-oxobutanoic acid
Structure
SMILES: NC(=O)C(CC(=O)O)NC(=O)C1=CC(NC(=O)NC2=CC=CC(F)=C2)C(O)C(O)C1
InChI: InChI=1S/C18H21FN4O7/c19-9-2-1-3-10(6-9)21-18(30)23-11-4-8(5-13(24)15(11)27)17(29)22-12(16(20)28)7-14(25)26/h1-4,6,11-13,15,24,27H,5,7H2,(H2,20,28)(H,22,29)(H,25,26)(H2,21,23,30)
InChIKey: KUNULXMIJQHNHK-UHFFFAOYSA-N
Reference
Mycosporine‐like amino acids as osmotic solutes in a community of halophilic cyanobacteria
Isolation and structure of two new amino acids, palythinol and palythene, from the zoanthid
PubChem CID: 3816326
COCONUT: CNP0454039.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 424.3850000000001
TPSA？: 191.08
MolLogP？: -1.1874999999999991
Number of H-Donors: 7
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|