Sanjoinenine
AlkaPlorer ID: AK085762
Synonym: ''
IUPAC Name: (E)-N-[(3R,4R,7R,10E)-7-[(2S)-butan-2-yl]-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]-3-phenylprop-2-enamide
Structure
SMILES: CC[C@H](C)[C@H]1N=C(O)[C@H](N=C(O)/C=C/C2=CC=CC=C2)[C@@H](C(C)C)OC2=CC=C(/C=C/N=C1O)C=C2
InChI: InChI=1S/C29H35N3O4/c1-5-20(4)25-28(34)30-18-17-22-11-14-23(15-12-22)36-27(19(2)3)26(29(35)32-25)31-24(33)16-13-21-9-7-6-8-10-21/h6-20,25-27H,5H2,1-4H3,(H,30,34)(H,31,33)(H,32,35)/b16-13+,18-17+/t20-,25+,26+,27+/m0/s1
InChIKey: WVYPBVOSAZSUAV-DNEIJQSKSA-N
Source
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Properties Information
Molecule Weight: 489.6160000000002
TPSA？: 107.0
MolLogP？: 6.440500000000006
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 4
Activities Information
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