Veraguamide A; Debromo, 35,35,36,36-tetrahydro

AlkaPlorer ID: AK317454

Synonym: Veraguamide I

IUPAC Name: 3-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: CCCCCC1OC(=O)C(C(C)C)N(C)C(=O)C2CCCN2C(=O)C(C(C)CC)OC(=O)C(C(C)C)N(C)C(=O)C(C(C)C)N=C(O)C1C

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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)

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InChIKey: DOBIBZDFHDCVHA-UHFFFAOYSA-N

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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

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information