Veraguamide H, (rel)-
AlkaPlorer ID: AK055993
Synonym: 'Veraguamide H'
IUPAC Name: (3S,6S,9S,12S,13S,16R,19R)-7,12,17-trimethyl-13-pent-4-ynyl-3,6,9,16-tetra(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Structure
SMILES: C#CCCC[C@@H]1OC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H](C(C)C)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H]1C
InChI: InChI=1S/C36H58N4O8/c1-13-14-15-18-26-24(10)31(41)37-27(20(2)3)33(43)39(12)29(22(6)7)36(46)48-30(23(8)9)34(44)40-19-16-17-25(40)32(42)38(11)28(21(4)5)35(45)47-26/h1,20-30H,14-19H2,2-12H3,(H,37,41)/t24-,25+,26-,27-,28+,29-,30-/m0/s1
InChIKey: ORNJUOMQOSTPOV-OWCZDTJQSA-N
Source
Properties Information
Molecule Weight: 674.8800000000002
TPSA？: 146.12
MolLogP？: 3.857300000000004
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 2
Activities Information
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