Veraguamide I, (rel)-
AlkaPlorer ID: AK071874
Synonym: 'Veraguamide I'
IUPAC Name: (3S,6S,9S,12S,13S,16R,19R)-3-[(2R)-butan-2-yl]-7,12,17-trimethyl-13-pentyl-6,9,16-tri(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Structure
SMILES: CCCCC[C@@H]1OC(=O)[C@@H](C(C)C)N(C)C(=O)[C@H]2CCCN2C(=O)[C@H]([C@H](C)CC)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/C37H64N4O8/c1-13-15-16-19-27-25(10)32(42)38-28(21(3)4)34(44)40(12)30(23(7)8)37(47)49-31(24(9)14-2)35(45)41-20-17-18-26(41)33(43)39(11)29(22(5)6)36(46)48-27/h21-31H,13-20H2,1-12H3,(H,38,42)/t24-,25+,26-,27+,28+,29-,30+,31+/m1/s1
InChIKey: DOBIBZDFHDCVHA-QZQKEFPXSA-N
Source
Properties Information
Molecule Weight: 692.9390000000002
TPSA？: 146.12
MolLogP？: 5.024200000000007
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 2
Activities Information
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