14,20-Dideoxy-thaxtomin A
AlkaPlorer ID: AK325772
Synonym: None
IUPAC Name: (6S)-3-benzyl-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Structure
SMILES: CN1C(=O)[C@H](CC2=CNC3=CC=CC([N+](=O)[O-])=C23)N(C)C(=O)C1CC1=CC=CC=C1
InChI: InChI=1S/C22H22N4O4/c1-24-18(11-14-7-4-3-5-8-14)21(27)25(2)19(22(24)28)12-15-13-23-16-9-6-10-17(20(15)16)26(29)30/h3-10,13,18-19,23H,11-12H2,1-2H3/t18?,19-/m0/s1
InChIKey: GJJXGBLNXDIHIQ-GGYWPGCISA-N
Source
Properties Information
Molecule Weight: 406.4420000000002
TPSA？: 99.54999999999998
MolLogP？: 2.5289
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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