Kahalalide W
AlkaPlorer ID: AK040160
Synonym: '(+)-Kahalalide W'
IUPAC Name: 2-[(3R,7S,10S,13S,16S,19R,22S)-3-benzyl-10-[(4-hydroxyphenyl)methyl]-19-methyl-7-(6-methylheptyl)-2,5,9,12,15,18,21-heptaoxo-16-propan-2-yl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-13-yl]acetamide
Structure
SMILES: CC(C)CCCCC[C@H]1CC(O)=N[C@H](CC2=CC=CC=C2)C(=O)N2CCC[C@H]2C(O)=N[C@H](C)C(O)=N[C@@H](C(C)C)C(O)=N[C@@H](CC(=N)O)C(O)=N[C@@H](CC2=CC=C(O)C=C2)C(=O)O1
InChI: InChI=1S/C46H65N7O10/c1-27(2)13-8-6-11-16-33-25-39(56)49-35(23-30-14-9-7-10-15-30)45(61)53-22-12-17-37(53)43(59)48-29(5)41(57)52-40(28(3)4)44(60)50-34(26-38(47)55)42(58)51-36(46(62)63-33)24-31-18-20-32(54)21-19-31/h7,9-10,14-15,18-21,27-29,33-37,40,54H,6,8,11-13,16-17,22-26H2,1-5H3,(H2,47,55)(H,48,59)(H,49,56)(H,50,60)(H,51,58)(H,52,57)/t29-,33+,34+,35-,36+,37+,40+/m1/s1
InChIKey: LJNDDJVXTIZTOA-WYKFPGSISA-N
Source
Properties Information
Molecule Weight: 876.0650000000002
TPSA？: 273.87
MolLogP？: 7.317170000000007
Number of H-Donors: 8
Number of H-Acceptors: 10
RingCount: 4
Activities Information
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