2-bromo-N-[(1R,5R,6R)-3-(carbamoylmethylcarbamoyl)-5,6-dihydroxycyclohex-2-en-1-yl]benzamide
AlkaPlorer ID: AK579685
Synonym: None
IUPAC Name: N-[(1R,5R,6R)-3-[(2-amino-2-oxoethyl)carbamoyl]-5,6-dihydroxycyclohex-2-en-1-yl]-2-bromobenzamide
Structure
SMILES: NC(=O)CNC(=O)C1=C[C@@H](NC(=O)C2=CC=CC=C2Br)[C@@H](O)[C@H](O)C1
InChI: InChI=1S/C16H18BrN3O5/c17-10-4-2-1-3-9(10)16(25)20-11-5-8(6-12(21)14(11)23)15(24)19-7-13(18)22/h1-5,11-12,14,21,23H,6-7H2,(H2,18,22)(H,19,24)(H,20,25)/t11-,12-,14-/m1/s1
InChIKey: YGBNHURMMZVIHG-YRGRVCCFSA-N
Reference
SuperNatural Ⅲ: SN0449438-02
Source
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Properties Information
Molecule Weight: 412.24000000000007
TPSA？: 141.75
MolLogP？: -0.7990999999999999
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 2
Activities Information
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