2-bromo-N-[(1R,5R,6R)-3-{[(1R)-1-carbamoylethyl]carbamoyl}-5,6-dihydroxycyclohex-2-en-1-yl]benzamide
AlkaPlorer ID: AK473953
Synonym: None
IUPAC Name: N-[3-[(1-amino-1-oxopropan-2-yl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-2-bromobenzamide
Structure
SMILES: CC(NC(=O)C1=CC(NC(=O)C2=CC=CC=C2Br)C(O)C(O)C1)C(N)=O
InChI: InChI=1S/C17H20BrN3O5/c1-8(15(19)24)20-16(25)9-6-12(14(23)13(22)7-9)21-17(26)10-4-2-3-5-11(10)18/h2-6,8,12-14,22-23H,7H2,1H3,(H2,19,24)(H,20,25)(H,21,26)
InChIKey: NZFGCWRRGFAIOL-UHFFFAOYSA-N
Reference
Interesting aspects of marine natural products chemistry
PubChem CID: 3690901
COCONUT: CNP0053345.1
Source
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Properties Information
Molecule Weight: 426.2670000000001
TPSA？: 141.75
MolLogP？: -0.4106000000000002
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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